SCHEMBL29537498

SCHEMBL29537498

CSc1ncc2cc(Br)c(NCC(C)O)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 10/20 0.34
▸ AKT2 P31751 10/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ PDE5A O76074 2/20 0.30
▸ PDE6A P16499 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ACACB O00763 1/20 0.30

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
SCHEMBL25271264 1.00 AKT1 (0.34) AKT1AKT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL25227024 0.82 AKT1 (0.39) AKT1AKT2ALDH1A1HTTMAPT
SCHEMBL29536669 0.82 AKT1 (0.39) AKT1AKT2ALDH1A1HTTMAPT
SCHEMBL29536658 0.81 AKT1 (0.39) AKT1AKT2ALDH1A1HTT
SCHEMBL25271560 0.81 AKT1 (0.39) AKT1AKT2ALDH1A1HTT
SCHEMBL25278070 0.81 CYP1A2 (0.40) AKT1AKT2ALDH1A1HTTMAPT
SCHEMBL29536592 0.80 CDK1 (0.39) AKT1AKT2
SCHEMBL25227902 0.80 CDK1 (0.39) AKT1AKT2
SCHEMBL25227955 0.80 CDK1 (0.39) AKT1AKT2
SCHEMBL24271449 0.78 AKT1 (0.34) AKT1AKT2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
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