SCHEMBL4338538

SCHEMBL4338538

Nc1ncc(-c2c(Cl)cccc2Cl)c(N)n1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.71
SRC P12931 3/20 0.71
DHFR P00374 4/20 0.58
EGFR P00533 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50

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
SCHEMBL5619139 0.84 FGFR1 (1.00) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL975784 0.82 CYP2D6 (0.57) FGFR1SRCDHFR
SCHEMBL4186547 0.81 DHFR (0.56) FGFR1SRCDHFR
SCHEMBL4200127 0.79 FGFR1 (0.71) FGFR1SRCDHFREGFRFGFR2
SCHEMBL8129675 0.75 FGFR1 (0.82) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL5765344 0.75 FGFR1 (0.74) FGFR1SRCEGFRFGFR2FGFR4
Pyrimidine SCHEMBL3091353 0.75 PTPN11 (0.49) FGFR1SRCDHFR
SCHEMBL1388562 0.74 DHFR (1.00) FGFR1SRCDHFR
SCHEMBL29913330 0.74 DHFR (1.00) FGFR1SRCDHFR
SCHEMBL21223541 0.73 FGFR1 (0.53) FGFR1SRCEGFRFGFR2FGFR4

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-2032543-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed