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Sugi Predict / Compounds / SCHEMBL16654055

SCHEMBL16654055

SCHEMBL16654055

CNC(=O)c1ccnc2c(C(C)CNc3cc(-c4cnc(C)nc4)ncn3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.63
▸ SLC40A1 Q9NP59 2/20 0.39
▸ FAAH O00519 11/20 0.37
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15328700 1.00 PRKDC (0.63) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL28551259 1.00 PRKDC (0.63) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL29623963 1.00 PRKDC (0.63) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17874734 0.94 PRKDC (0.57) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17634671 0.94 PRKDC (0.60) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL15339664 0.93 PRKDC (0.55) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17634581 0.93 PRKDC (0.57) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL17634771 0.93 PRKDC (0.55) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL15339608 0.92 PRKDC (0.54) PRKDCSLC40A1FAAHCYP1A2CYP3A4
SCHEMBL15339626 0.92 PRKDC (0.56) PRKDCSLC40A1FAAHCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424920-B1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-04-15 — — EP claimed
EP-3424920-A1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-01-09 — — EP claimed
EP-3057953-A1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS Vertex Pharmaceuticals Inc. (US) 2016-08-24 — — EP claimed
WO-2015058067-A1 CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 — — WO claimed
CN-111770921-B Quinoxalinone compounds, compositions, methods and kits for improving genome editing efficiency 沃泰克斯药物股份有限公司 2024-03-22 — — CN disclosed
EP-3484870-B1 METHODS, COMPOSITIONS AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMA (US) 2022-11-16 — — EP disclosed
CN-112574179-B DNA-PK inhibitors 山东轩竹医药科技有限公司 2022-05-10 — — CN disclosed
CN-112574179-A DNA-PK inhibitors 山东轩竹医药科技有限公司 2021-03-30 — — CN disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 — — EP disclosed
EP-3459942-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-03-27 — — EP disclosed
CN-105814036-A Co-crystals of (S) -N-methyl-8- (1- ((2 '-methyl- [4, 5' -bipyrimidin ] -6-yl) amino) propan-2-yl) quinoline-4-carboxamide and deuterated derivatives thereof as DNA-PK inhibitors 沃泰克斯药物股份有限公司 2016-07-27 — — CN disclosed