SCHEMBL1780489

SCHEMBL1780489

CCn1nc(C)cc1C(=O)Nc1cc(N2CCN(C)CC2)ccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.42
INSR P06213 14/20 0.41
ALK Q9UM73 14/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
IGF1R P08069 9/20 0.39
AURKB Q96GD4 2/20 0.38

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
SCHEMBL1777677 0.92 AURKA (0.52) AURKAINSRALKABL1BCR
SCHEMBL15362089 0.92 KIT (0.40) AURKAINSRALKABL1KIT
SCHEMBL1780558 0.88 KDR (0.40) AURKA
SCHEMBL3868697 0.86 INSR (0.43) AURKAINSRALKABL1KIT
SCHEMBL1779993 0.86 AURKA (0.45) AURKAINSRALKABL1BCR
SCHEMBL1779553 0.85 AURKA (0.44) AURKAINSRALKABL1BCR
SCHEMBL1779963 0.85 IGF1R (0.52) AURKAINSRALKABL1BCR
SCHEMBL1779339 0.84 INSR (0.45) AURKAINSRALKABL1BCR
SCHEMBL15362112 0.83 AURKA (0.44) AURKAINSRALKABL1BCR
SCHEMBL1778772 0.82 INSR (0.47) AURKAINSRALKABL1BCR

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 2 patents. 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 claimed
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