SCHEMBL652354

SCHEMBL652354

Cn1nccc1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
HTT P42858 1/20 0.36
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIT P10721 1/20 0.35
LMNA P02545 1/20 0.35
RXFP2 Q8WXD0 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FGFR4 P22455 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
ATM Q13315 1/20 0.33
PHGDH O43175 1/20 0.33
ABL1 P00519 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
SCHEMBL4082256 0.94 AURKA (0.44) AURKAHTTAHRMEN1KMT2A
SCHEMBL654837 0.89 AURKA (0.42) AURKAHTTKITLMNARXFP2
SCHEMBL2910270 0.88 HTT (0.41) HTTAHRMEN1KMT2AKIT
SCHEMBL2908971 0.87 HTT (0.36) AURKAHTTAHRMEN1KMT2A
SCHEMBL652230 0.86 RXFP1 (0.42) AURKAMEN1KMT2AKITLMNA
SCHEMBL651138 0.85 AURKA (0.40) AURKAKITLMNARXFP2RXFP1
SCHEMBL650566 0.85 AURKA (0.40) AURKAMEN1KMT2AKITLMNA
SCHEMBL4316954 0.84 HTT (0.35) AURKAHTTAHRMEN1KMT2A
SCHEMBL653327 0.84 AURKA (0.40) AURKALMNARXFP1FGFR4
SCHEMBL653328 0.83 AURKA (0.38) AURKAMEN1KMT2AKITLMNA

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-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US claimed
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed