SCHEMBL4041184

SCHEMBL4041184

Cc1cccc(Cl)c1-c1cc2nc(N)c3cncn3c2nc1NCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.55
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2D6 P10635 6/20 0.43
HSD17B10 Q99714 4/20 0.43
HIF1A Q16665 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FGFR1 P11362 3/20 0.42
SRC P12931 2/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CLK4 Q9HAZ1 3/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL4042428 0.85 LCK (0.44) LCKFGFR1
SCHEMBL4041190 0.84 LCK (0.51) LCKCYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL4041458 0.83 LCK (0.53) LCK
SCHEMBL7983651 0.83 LCK (0.59) LCKCYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL4041226 0.82 LCK (0.53) LCKCYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL4036109 0.81 LCK (0.46) LCK
SCHEMBL7983212 0.80 LCK (0.60) LCKFGFR1SRCFGFR2FGFR4
SCHEMBL4041724 0.79 LCK (0.42) LCK
SCHEMBL4037163 0.79 FGFR1 (0.43) LCKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL7984582 0.77 LCK (0.61) LCKSMN1; SMN2HSD17B10LMNASRC

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
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP claimed
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP claimed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 WO claimed
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed