SCHEMBL2333252

SCHEMBL2333252

COc1cc(C)c(-c2ccccc2NC(=O)Nc2cc(Nc3cccc(N4CCN(C)CC4)c3)ncn2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
EGFR P00533 8/20 0.46
ERBB3 P21860 1/20 0.46
JAK3 P52333 3/20 0.46
JAK2 O60674 2/20 0.46
PTK2 Q05397 1/20 0.46
SIK1 P57059 1/20 0.46
MELK Q14680 1/20 0.46
SIK2 Q9H0K1 1/20 0.46
SIK3 Q9Y2K2 1/20 0.46
KDR P35968 3/20 0.42
LCK P06239 2/20 0.42
MAPK14 Q16539 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 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
SCHEMBL2330369 0.90 FGFR3 (0.61) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374407 0.83 FGFR3 (0.63) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374803 0.82 FGFR3 (0.69) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374239 0.82 FGFR3 (0.69) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374712 0.82 FGFR3 (0.67) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374019 0.81 FGFR3 (0.59) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374466 0.81 FGFR3 (0.72) FGFR3EGFRERBB3JAK3SIK1
SCHEMBL13855363 0.80 FGFR3 (0.84) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL374665 0.79 FGFR3 (0.64) FGFR3CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL378825 0.79 FGFR3 (0.64) FGFR3CYP3A4CYP2C9CYP2C19EGFR

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
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed