SCHEMBL1777256

SCHEMBL1777256

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ccco3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 4/20 0.43
RECQL P46063 3/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 5/20 0.42
MAPK1 P28482 4/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL743086 0.94 AURKA (0.45) MAPTRECQLKDM4EKMT2AMAPK1
SCHEMBL1780074 0.90 SMN1; SMN2 (0.43) RXFP1MAPTRECQLKDM4ETSHR
SCHEMBL1779700 0.88 AURKA (0.50) RXFP1MAPTKDM4EALDH1A1NPC1
SCHEMBL15362130 0.88 RXFP1 (0.45) RXFP1MAPTRECQLKDM4ETSHR
SCHEMBL1779328 0.87 RXFP1 (0.44) RXFP1KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL1780795 0.87 AURKA (0.45) RXFP1CYP2C19NPSR1AURKAPOLB
SCHEMBL3869847 0.87 MAPK1 (0.49) RXFP1MAPTRECQLKDM4ETSHR
SCHEMBL1778129 0.86 AURKA (0.43) RXFP1HSD17B10ALDH1A1NPC1SMN1; SMN2
SCHEMBL1781440 0.86 AURKA (0.55) AURKAABL1BCR
SCHEMBL1779492 0.86 AURKA (0.44) RXFP1KDM4EAURKAABL1BCR

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