SCHEMBL4354112

SCHEMBL4354112

Cc1cccc(-c2cnc(N)nc2N)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.56
DHFR P00374 4/20 0.47
SRC P12931 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
NUDT1 P36639 2/20 0.44
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK14 Q16539 1/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL4464780 0.86 FGFR1 (0.55) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL8122597 0.85 FGFR1 (0.76) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL4200127 0.84 FGFR1 (0.71) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL4475729 0.83 FGFR1 (0.47) FGFR1DHFRSRCADORA1
SCHEMBL4484811 0.81 DHFR (0.56) FGFR1DHFRADORA1
SCHEMBL3959532 0.74 DHFR (0.54) FGFR1DHFRSRC
SCHEMBL4188897 0.72 DHFR (0.54) FGFR1DHFRLCKKDRJAK3
SCHEMBL4357670 0.72 DHFR (0.50) FGFR1DHFRLCKKDRJAK3
SCHEMBL975784 0.72 CYP2D6 (0.57) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL31155969 0.72 NUDT1 (0.48) FGFR1SRCPDGFRBPDGFRANUDT1

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