SCHEMBL4041226

SCHEMBL4041226

Cc1cccc(Cl)c1-c1nc(NCCN2CCOCC2)cc2nc(N)c3cncn3c12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.53
FGFR1 P11362 3/20 0.42
SRC P12931 2/20 0.42
KDR P35968 1/20 0.41
CHRM1 P11229 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
HIF1A Q16665 1/20 0.39
ALOX15 P16050 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL4041190 0.84 LCK (0.51) LCKFGFR1SRCALDH1A1TSHR
SCHEMBL4038830 0.83 LCK (0.49) LCKFGFR1KDR
SCHEMBL4041184 0.82 LCK (0.55) LCKFGFR1SRCKDRALDH1A1
SCHEMBL7983651 0.80 LCK (0.59) LCKFGFR1SRCALDH1A1TSHR
SCHEMBL4041225 0.77 FGFR1 (0.51) LCKFGFR1SRCKDRCHRM1
SCHEMBL7984582 0.77 LCK (0.61) LCKSRCALDH1A1HSD17B10PDPK1
SCHEMBL7983212 0.75 LCK (0.60) LCKFGFR1SRCKDR
SCHEMBL7983616 0.73 LCK (0.51) LCKFGFR1SRCALDH1A1TSHR
SCHEMBL7982990 0.73 LCK (0.55) LCKFGFR1SRCKDRPDPK1
SCHEMBL7987022 0.72 LCK (0.52) LCKFGFR1SRCKDRPDPK1

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