SCHEMBL31532080

SCHEMBL31532080

O=c1[nH]c2nc(NC3CC3)ncc2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.47
▸ MAPK8 P45983 6/20 0.45
▸ MAPK10 P53779 4/20 0.45
▸ MAPK9 P45984 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CDK4 P11802 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ CCND1 P24385 1/20 0.36

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
SCHEMBL31532055 0.79 SIK2 (0.45) MAPK14AURKATTKAURKBINCENP
SCHEMBL22612785 0.79 SIK2 (0.45) MAPK14AURKATTKAURKBINCENP
SCHEMBL10323683 0.76 MAPK8 (0.46) MAPK14MAPK8MAPK10MAPK9GSK3B
SCHEMBL31532117 0.75 CDK4 (0.40) MAPK14MAPK8MAPK10MAPK9ALDH1A1
SCHEMBL31532076 0.75 CDK4 (0.42) ALDH1A1IGF1RCDK4CCND1CCND2
SCHEMBL255621 0.74 MEN1 (0.46) ALDH1A1IGF1RMAPTCDK4GSK3B
SCHEMBL15280148 0.73 CDC7 (0.38) ALDH1A1AURKAAURKBHDAC1HDAC6
SCHEMBL29861753 0.72 PDK2 (0.39) AURKAAURKBGSK3BCDK7
SCHEMBL23341176 0.71 BRD4 (0.46) MAPK14CDK4CCND1CDK2
SCHEMBL19868156 0.71 CCNE1 (0.53) MAPK8CDK4CCND1CCND3CDK2

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-2025043349-A1 PYRIMIDOPYRIDONE AND PTERIDONE DERIVATIVES AS INHIBITORS OF THE GCN2 KINASE, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2025-03-06 — — WO disclosed
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