SCHEMBL4041225

SCHEMBL4041225

Cc1cccc(Cl)c1-c1ncc2c(N)nc3cc(NCCN4CCOCC4)ncc3n12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.51
KDR P35968 2/20 0.51
SRC P12931 2/20 0.49
CYP1A2 P05177 4/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2C19 P33261 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
LCK P06239 4/20 0.45
EGFR P00533 3/20 0.43
MAP3K8 P41279 2/20 0.43
CYP2D6 P10635 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
HIF1A Q16665 1/20 0.43
CCNT1 O60563 1/20 0.43
PDPK1 O15530 1/20 0.42
CHRM1 P11229 1/20 0.40

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
SCHEMBL7983648 0.87 LCK (0.57) FGFR1KDRSRCCYP1A2TSHR
SCHEMBL7983209 0.83 LCK (0.58) FGFR1KDRSRCALDH1A1HSD17B10
SCHEMBL7983613 0.80 LCK (0.51) FGFR1SRCCYP1A2TSHRCYP3A4
SCHEMBL4041226 0.77 LCK (0.53) FGFR1KDRSRCCYP1A2TSHR
SCHEMBL7983879 0.76 FGFR1 (0.55) FGFR1KDRSRCLCKEGFR
SCHEMBL7980015 0.76 LCK (0.52) FGFR1KDRSRCLCKMAP3K8
SCHEMBL7983693 0.72 LCK (0.43) FGFR1KDRSRCLCKEGFR
SCHEMBL7969762 0.72 LCK (0.46) FGFR1SRCALDH1A1LCK
SCHEMBL4041190 0.72 LCK (0.51) FGFR1SRCCYP1A2TSHRCYP3A4
SCHEMBL4041184 0.72 LCK (0.55) FGFR1KDRSRCCYP1A2TSHR

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-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP claimed