SCHEMBL31184822

SCHEMBL31184822

Cc1cc(NCCN(C)C)cc2c1CN(C1CCC(C(=O)Nc3nc4ccccc4s3)CC1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ CHKA P35790 1/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ LCK P06239 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL31184544 0.81 HTR2C (0.36) LMNAKMT2ATP53
SCHEMBL31184524 0.81 CHKA (0.34) CHKAALDH1A1LMNANPC1RAB9A
SCHEMBL31184615 0.80 LMNA (0.31) LMNAMAPK1
SCHEMBL31184614 0.79 ALDH1A1 (0.40) CYP1A2CYP2C19CHKACHKBALDH1A1
SCHEMBL31184568 0.79 MAPK1 (0.32) ALDH1A1MAPK1
SCHEMBL31184642 0.79 ALDH1A1 (0.40) CYP1A2CYP2C19CHKACHKBALDH1A1
SCHEMBL31184992 0.79 MGLL (0.41) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL31184403 0.78 TYK2 (0.32) ABL1ALDH1A1
SCHEMBL31184750 0.78 BTK (0.34) ALDH1A1RAB9A
SCHEMBL31185053 0.77 TP53 (0.40) CYP1A2CYP2C19CHKACHKBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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