SCHEMBL1780709

SCHEMBL1780709

C/C(O)=C(/C#N)C(=O)Nc1cc(N2CCN(C)CC2)ccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
INSR P06213 15/20 0.42
ALK Q9UM73 15/20 0.42
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
IGF1R P08069 9/20 0.39
AURKB Q96GD4 2/20 0.38
CSF1R P07333 1/20 0.37

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
SCHEMBL1780568 0.88 DHODH (0.40)
SCHEMBL3871624 0.86 ALK (0.42) AURKAABL1INSRALKKIT
SCHEMBL3872622 0.86 ALK (0.42) AURKAABL1INSRALKKIT
SCHEMBL3872625 0.86 ALK (0.42) AURKAABL1INSRALKKIT
SCHEMBL1779993 0.86 AURKA (0.45) AURKAABL1BCRINSRALK
SCHEMBL1779963 0.84 IGF1R (0.52) AURKAABL1BCRINSRALK
SCHEMBL1779339 0.84 INSR (0.45) AURKAABL1BCRINSRALK
SCHEMBL1779553 0.83 AURKA (0.44) AURKAABL1BCRINSRALK
SCHEMBL1778772 0.83 INSR (0.47) AURKAABL1BCRINSRALK
SCHEMBL742121 0.82 AURKA (0.62) AURKAABL1BCRINSRALK

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