SCHEMBL14639983

SCHEMBL14639983

C[C@@](I)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ccc[nH]3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.36
AURKA O14965 1/20 0.36
NR1H4 Q96RI1 10/20 0.35
BDKRB1 P46663 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DHPS P49366 1/20 0.35
PPARA Q07869 5/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
FGFR4 P22455 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARD Q03181 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
SCHEMBL1778344 0.92 AURKA (0.43) PPARGAURKANR1H4BDKRB1NPSR1
SCHEMBL14639984 0.90 PPARG (0.36) PPARGNR1H4BDKRB1NPSR1RXFP1
SCHEMBL3872706 0.86 KCNMA1 (0.38) NPSR1RXFP1FGFR4KDM4E
SCHEMBL1779132 0.85 NR1H4 (0.37) PPARGAURKANR1H4NPSR1RXFP1
SCHEMBL1780165 0.84 FGFR4 (0.37) NPSR1RXFP1DHPSFGFR4KDM4E
SCHEMBL1779700 0.82 AURKA (0.50) PPARGAURKANR1H4NPSR1RXFP1
SCHEMBL1779512 0.82 ALDH1A1 (0.46) AURKABDKRB1KDM4E
SCHEMBL15372479 0.82 HSD17B13 (0.38) PPARGNR1H4NPSR1RXFP1DHPS
SCHEMBL1778920 0.81 KDR (0.46) AURKANR1H4KDM4E
SCHEMBL15362133 0.81 AURKA (0.36) PPARGAURKANR1H4NPSR1RXFP1

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-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO disclosed