SCHEMBL29074140

SCHEMBL29074140

COc1ccc(Cc2c(-c3cnn(C)c3)ccnc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 6/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ MET P08581 1/20 0.43
▸ AURKB Q96GD4 2/20 0.41
▸ KDR P35968 1/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ TTK P33981 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ GRM2 Q14416 2/20 0.41
▸ NTRK1 P04629 2/20 0.40
▸ NTRK3 Q16288 2/20 0.40
▸ NTRK2 Q16620 2/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ MAPK8 P45983 1/20 0.40

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
SCHEMBL28054249 0.74 ALDH1A1 (0.59) ALDH1A1CYP2D6ATMPOLB
SCHEMBL16784440 0.74 MET (0.47) CSF1RMETAURKBKDRCCNA2
SCHEMBL23045757 0.73 ALDH1A1 (0.58) CSF1RALDH1A1CYP2D6ATMNTRK1
SCHEMBL22736088 0.72 AURKA (0.52) AURKBKDRMTORAURKAINCENP
SCHEMBL16784439 0.72 MET (0.53) CSF1RCYP2D6METCCNA2CDK2
Ammonia Solution, Strong SCHEMBL25279198 0.72 ALDH1A1 (0.56) CSF1RALDH1A1CYP2D6ATMNTRK1
SCHEMBL13810669 0.69 CLK1 (0.48) CSF1RMETNTRK1NTRK3NTRK2
SCHEMBL5990507 0.69 CLK1 (0.51) METAURKBKDRCCNA2CDK2
Hydrochloric Acid SCHEMBL7522555 0.68 ALDH1A1 (0.68) ALDH1A1CYP2D6ATMPOLB
SCHEMBL29999550 0.68 ALDH1A1 (0.54) ALDH1A1CYP2D6ATMPOLB

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
CN-116554151-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2023-08-08 — — CN disclosed
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