SCHEMBL652230

SCHEMBL652230

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
AURKA O14965 1/20 0.41
FGFR4 P22455 5/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIT P10721 1/20 0.36
BRAF P15056 1/20 0.36
BDKRB1 P46663 1/20 0.36
MAPK1 P28482 3/20 0.35
TACR3 P29371 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL653327 0.90 AURKA (0.40) RXFP1AURKAFGFR4LMNAL3MBTL1
SCHEMBL653354 0.88 RXFP1 (0.38) RXFP1FGFR4LMNAALDH1A1KIT
SCHEMBL651489 0.88 RXFP1 (0.47) RXFP1AURKAFGFR4ALDH1A1POLB
SCHEMBL651124 0.88 AURKA (0.40) RXFP1AURKAFGFR4LMNAALDH1A1
SCHEMBL653328 0.88 AURKA (0.38) RXFP1AURKAFGFR4LMNAALDH1A1
SCHEMBL4083477 0.88 AURKA (0.42) AURKALMNAALDH1A1HPGDMAPK1
SCHEMBL655164 0.88 AURKA (0.42) AURKAALDH1A1BDKRB1MAPK1TACR3
SCHEMBL651483 0.86 EGLN1 (0.40) RXFP1AURKAFGFR4LMNAMAPK1
SCHEMBL654837 0.86 AURKA (0.42) RXFP1AURKAFGFR4LMNAALDH1A1
SCHEMBL652354 0.86 AURKA (0.41) RXFP1AURKAFGFR4LMNAALDH1A1

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-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