SCHEMBL30114784

SCHEMBL30114784

CSc1cnc(Nc2ccc(C(=O)Nc3ccccc3C)cc2)nc1-c1cccnc1F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.58
CDK2 P24941 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL20188503 1.00 AURKA (0.58) AURKACDK2AURKBMAPT
SCHEMBL20188270 0.90
SCHEMBL30114704 0.90
SCHEMBL20188200 0.89 AURKA (0.53) AURKA
SCHEMBL30114845 0.89 AURKA (0.53) AURKA
SCHEMBL20196486 0.89 AURKA (0.47) AURKAMAPT
SCHEMBL20188249 0.89 AURKA (0.59) AURKACDK2AURKBMAPT
SCHEMBL30114870 0.89 AURKA (0.47) AURKAMAPT
SCHEMBL20188007 0.85 AURKA (0.45) AURKA
SCHEMBL20188260 0.85 AURKA (0.58) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139692-B Heteroaryl amine compounds for modulating hedgehog pathway and methods of making and using the same 财团法人生物技术开发中心 2023-08-25 CN claimed
CN-110139692-B Heteroaryl amine compounds for modulating hedgehog pathway and methods of making and using the same 财团法人生物技术开发中心 2023-08-25 CN disclosed