SCHEMBL653327

SCHEMBL653327

CC(C)C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
MAPK1 P28482 6/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
CYP2C19 P33261 1/20 0.37
FGFR4 P22455 4/20 0.36
RIPK1 Q13546 1/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
USP36 Q9P275 1/20 0.34
TACR3 P29371 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL652230 0.90 RXFP1 (0.42) AURKAMAPK1CYP2C19FGFR4LMNA
SCHEMBL2912045 0.87 CYP1A2 (0.42) MAPK1CYP1A2CYP2C9ALPLALPI
SCHEMBL651489 0.85 RXFP1 (0.47) AURKAMAPK1FGFR4RXFP1
SCHEMBL653328 0.85 AURKA (0.38) AURKAMAPK1FGFR4LMNARXFP1
SCHEMBL651124 0.85 AURKA (0.40) AURKAFGFR4LMNARXFP1L3MBTL1
SCHEMBL655164 0.85 AURKA (0.42) AURKAMAPK1USP36TACR3
SCHEMBL4083477 0.85 AURKA (0.42) AURKAMAPK1LMNATACR3
SCHEMBL652354 0.84 AURKA (0.41) AURKAFGFR4LMNARXFP1
SCHEMBL651483 0.84 EGLN1 (0.40) AURKAMAPK1FGFR4LMNARXFP1
SCHEMBL654837 0.84 AURKA (0.42) AURKAFGFR4LMNARXFP1L3MBTL1

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
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed