SCHEMBL29614992

SCHEMBL29614992

Nc1ccc(-c2cccc3[nH]ncc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.61
BRD4 O60885 1/20 0.49
ERBB2 P04626 2/20 0.46
ERBB4 Q15303 2/20 0.46
FLT3 P36888 2/20 0.46
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
CSF1R P07333 1/20 0.46
FLT1 P17948 1/20 0.46
RPS6KB1 P23443 1/20 0.46
TYK2 P29597 1/20 0.46
AKT1 P31749 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
RPS6KA3 P51812 1/20 0.46
STK3 Q13188 1/20 0.46
ROCK1 Q13464 1/20 0.46
AURKB Q96GD4 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
SGK2 Q9HBY8 1/20 0.46

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
SCHEMBL23198231 1.00 METAP2 (0.61) METAP2BRD4ERBB2ERBB4FLT3
SCHEMBL10268908 0.82 METAP2 (0.72) METAP2BRD4ERBB2ERBB4FLT3
SCHEMBL25174766 0.79 PIK3CD (0.44) METAP2TYK2NOS1JAK3TDO2
SCHEMBL25174834 0.79 TDO2 (0.48) METAP2TDO2PIK3CDFEN1
SCHEMBL5830148 0.78 PIK3CD (0.55) RPS6KA3ABL1TDO2PIK3CDPIK3CB
SCHEMBL23604020 0.78 METAP2 (0.56) METAP2BRD4ERBB2ERBB4FLT3
SCHEMBL14784319 0.76 METAP2 (1.00) METAP2BRD4ERBB2ERBB4FLT3
SCHEMBL28093874 0.76 METAP2 (0.68) METAP2BRD4ERBB2ERBB4FLT3
SCHEMBL29614980 0.75 MAP4K4 (0.46) BRD4FLT3AURKACSF1RKDR
SCHEMBL23198277 0.75 MAP4K4 (0.46) BRD4FLT3AURKACSF1RKDR

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-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed