SCHEMBL1779700

SCHEMBL1779700

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ccccc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
NR1H4 Q96RI1 10/20 0.44
PPARG P37231 9/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PPARA Q07869 5/20 0.42
ATM Q13315 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARD Q03181 1/20 0.41
POLB P06746 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
SCHEMBL1780912 0.95 AURKA (0.49) AURKAABL1BCRNR1H4PPARG
SCHEMBL1778008 0.94 AURKA (0.49) AURKAABL1BCRNR1H4PPARG
SCHEMBL740292 0.93 AURKA (0.55) AURKAABL1BCRRXFP1NPC1
SCHEMBL1779927 0.92 RXFP1 (0.49) AURKAABL1BCRNR1H4PPARG
SCHEMBL1779328 0.92 RXFP1 (0.44) AURKAABL1BCRNR1H4PPARG
SCHEMBL1780795 0.92 AURKA (0.45) AURKAABL1BCRNR1H4PPARG
SCHEMBL1780794 0.91 AURKA (0.46) AURKAABL1BCRNR1H4PPARG
SCHEMBL1778872 0.91 AURKA (0.46) AURKAABL1BCRNR1H4PPARG
SCHEMBL1778129 0.91 AURKA (0.43) AURKAABL1BCRNR1H4PPARG
SCHEMBL1779492 0.91 AURKA (0.44) AURKAABL1BCRNR1H4PPARG

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-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed