SCHEMBL4041190

SCHEMBL4041190

Cc1cccc(Cl)c1-c1cc(NCCN2CCOCC2)nc2c1nc(N)c1cncn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.51
FGFR1 P11362 3/20 0.43
SRC P12931 3/20 0.43
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 3/20 0.41
CLK4 Q9HAZ1 2/20 0.41
HIF1A Q16665 2/20 0.41
ALOX15 P16050 1/20 0.41
PDPK1 O15530 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FGFR2 P21802 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
SCHEMBL7983651 0.88 LCK (0.59) LCKFGFR1SRCCYP1A2ALDH1A1
SCHEMBL4042434 0.85 LCK (0.41) LCKFGFR1
SCHEMBL4041184 0.84 LCK (0.55) LCKFGFR1SRCCYP1A2ALDH1A1
SCHEMBL4041226 0.84 LCK (0.53) LCKFGFR1SRCCYP1A2ALDH1A1
SCHEMBL4042263 0.83 LCK (0.47) LCKFGFR1SRC
SCHEMBL7983212 0.83 LCK (0.60) LCKFGFR1SRCFGFR2FGFR4
SCHEMBL4036111 0.81 LCK (0.42) LCKFGFR1SRC
SCHEMBL7983616 0.80 LCK (0.51) LCKFGFR1SRCCYP1A2ALDH1A1
SCHEMBL7984582 0.80 LCK (0.61) LCKSRCALDH1A1HSD17B10PDPK1
SCHEMBL4044486 0.79 LCK (0.38) LCK

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