SCHEMBL1781218

SCHEMBL1781218

Cn1nccc1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
HTT P42858 1/20 0.36
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.34
PPARG P37231 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
FGFR4 P22455 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KIT P10721 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NAMPT P43490 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL739900 0.94 AURKA (0.47) AURKAABL1BCRAHRMEN1
SCHEMBL3871632 0.88 MEN1 (0.41) HTTAHRMEN1KMT2ARORC
SCHEMBL1777885 0.88 AURKA (0.46) AURKAABL1BCRPPARGFGFR4
SCHEMBL1779700 0.86 AURKA (0.50) AURKAABL1BCRHTTPPARG
SCHEMBL1779328 0.86 RXFP1 (0.44) AURKAABL1BCRPPARGFGFR4
SCHEMBL1780795 0.85 AURKA (0.45) AURKAABL1BCRPPARGFGFR4
SCHEMBL1778129 0.85 AURKA (0.43) AURKAABL1BCRHTTPPARG
SCHEMBL1779223 0.85 AURKA (0.43) AURKAABL1BCRPPARGCNR1
SCHEMBL1780968 0.85 AURKA (0.41) AURKAABL1BCRPPARGFGFR4
SCHEMBL1779413 0.84 ABL1 (0.45) AURKAABL1BCRMEN1KMT2A

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