SCHEMBL4474065

SCHEMBL4474065

CNC(=O)c1cc(Oc2ccc(-c3c[nH]c(C(=O)Nc4cc(Cl)ccc4OC)c3)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.55
RAF1 P04049 5/20 0.54
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDR P35968 7/20 0.45
BRAF P15056 2/20 0.45
MAPT P10636 1/20 0.44
CSF1R P07333 2/20 0.43
P2RX3 P56373 1/20 0.43
HIPK4 Q8NE63 2/20 0.43
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
AURKA O14965 1/20 0.43
MUSK O15146 1/20 0.43
EPHB6 O15197 1/20 0.43
MAPK13 O15264 1/20 0.43
MLNR O43193 1/20 0.43
MAP3K7 O43318 1/20 0.43

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
SCHEMBL4473374 0.92 DDR2 (0.54) DDR2RAF1MEN1KMT2AKDR
SCHEMBL4469831 0.88 RAF1 (0.71) DDR2RAF1MEN1KMT2AKDR
SCHEMBL4479105 0.88 RAF1 (0.46) DDR2RAF1MEN1KMT2AKDR
SCHEMBL9103507 0.88 KMT2A (0.43) DDR2RAF1MEN1KMT2AKDR
SCHEMBL4467015 0.86 KDR (0.59) DDR2RAF1MEN1KMT2AKDR
SCHEMBL4476005 0.82 RAF1 (0.45) DDR2RAF1MEN1KMT2AKDR
SCHEMBL1662323 0.81 RAF1 (0.75) DDR2RAF1MEN1KMT2AKDR
SCHEMBL4463483 0.80 RAF1 (0.64) DDR2RAF1KDRBRAFMAPT
SCHEMBL4463605 0.80 LMNA (0.46) DDR2RAF1KDRBRAFMAPT
SCHEMBL9102033 0.80 LCLAT1 (0.42) DDR2MEN1KMT2AKDRMAPT

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
EP-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP claimed
US-7598274-B2 N-methyl-4-{4-[5-(4-chloro-3-trifluoromethylphenylcarbamoyl)-1H-pyrrol-3-yl]-phenoxy}pyridine-2-carboxamide; Raf kinases inhibitors MERCK PATENT GMBH (DE) 2009-10-06 US claimed