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SCHEMBL1781440

SCHEMBL1781440

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(C(=O)NC(C)(C)c5ccccc5)cc34)c(NC(=O)c3ccco3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.55
▸ ABL1 P00519 2/20 0.53
▸ BCR P11274 2/20 0.53
▸ INSR P06213 7/20 0.45
▸ ALK Q9UM73 7/20 0.45
▸ IGF1R P08069 4/20 0.45
▸ KIT P10721 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ SIRT6 Q8N6T7 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
SCHEMBL1779339 0.91 INSR (0.45) AURKAABL1BCRINSRALK
SCHEMBL15362161 0.90 AURKA (0.46) AURKAABL1BCRINSRALK
SCHEMBL3865316 0.89 INSR (0.48) AURKAABL1INSRALKIGF1R
SCHEMBL1781996 0.87 AURKA (0.54) AURKAABL1BCRINSRALK
SCHEMBL1779562 0.87 AURKA (0.57) AURKAABL1BCRINSRALK
SCHEMBL1779217 0.87 AURKA (0.55) AURKAABL1BCRINSRALK
SCHEMBL1777256 0.86 RXFP1 (0.47) AURKAABL1BCR
SCHEMBL743086 0.85 AURKA (0.45) AURKAABL1BCR
SCHEMBL1777770 0.85 AURKA (0.55) AURKAABL1BCRINSRALK
SCHEMBL1779351 0.84 AURKA (0.69) AURKAABL1BCRKITFLT3

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