SCHEMBL4464780

SCHEMBL4464780

Cc1ccccc1-c1cnc(N)nc1N

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.55
LCK P06239 1/20 0.54
KDR P35968 1/20 0.54
JAK3 P52333 1/20 0.54
MAPK14 Q16539 1/20 0.54
DHFR P00374 6/20 0.51
HEXA P06865 1/20 0.49
HEXB P07686 1/20 0.49
PDGFRB P09619 1/20 0.45
SRC P12931 1/20 0.45
PDGFRA P16234 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL4354112 0.86 FGFR1 (0.56) FGFR1LCKKDRJAK3MAPK14
SCHEMBL8122405 0.84 FGFR1 (0.76) FGFR1LCKKDRJAK3MAPK14
SCHEMBL4200127 0.83 FGFR1 (0.71) FGFR1LCKKDRJAK3MAPK14
SCHEMBL27612441 0.79 DHFR (0.55) FGFR1LCKKDRJAK3MAPK14
SCHEMBL4188897 0.79 DHFR (0.54) FGFR1LCKKDRJAK3MAPK14
SCHEMBL4357670 0.79 DHFR (0.50) FGFR1LCKKDRJAK3MAPK14
SCHEMBL28330246 0.79 P2RX3 (0.59) DHFR
SCHEMBL3425059 0.78 ADORA2A (0.56) FGFR1LCKKDRJAK3MAPK14
SCHEMBL4186547 0.78 DHFR (0.56) FGFR1DHFRSRCADORA2AADORA1
SCHEMBL4613355 0.78 DHFR (0.51) DHFRADORA2AADORA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
EP-3562811-A1 HETEROARYL COMPOUNDS AND THEIR USE Minoryx Therapeutics S.L. (ES) 2019-11-06 EP disclosed
WO-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed