SCHEMBL4037168

SCHEMBL4037168

Cc1cccc(Cl)c1-c1cc(NCc2cccnc2)nc2c1nc(N)c1cncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FGFR1 P11362 1/20 0.43
TLR7 Q9NYK1 1/20 0.41
FYN P06241 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CD O00329 1/20 0.37
LCK P06239 4/20 0.37
CDK2 P24941 1/20 0.36

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
SCHEMBL4042434 0.84 LCK (0.41) FGFR1LCK
SCHEMBL4036111 0.84 LCK (0.42) FGFR1LCK
SCHEMBL4037163 0.83 FGFR1 (0.43) MEN1KMT2AFGFR1CYP1A2CYP3A4
SCHEMBL4042263 0.83 LCK (0.47) FGFR1LCK
SCHEMBL4044486 0.82 LCK (0.38) LCK
SCHEMBL4041190 0.79 LCK (0.51) MEN1KMT2AFGFR1CYP1A2CYP3A4
SCHEMBL4036365 0.79 FGFR1 (0.40) FGFR1LCK
SCHEMBL4043849 0.76 LCK (0.43) FGFR1PIK3CDLCK
SCHEMBL6626588 0.76 LCK (0.43) LCK
SCHEMBL7983065 0.74 LCK (0.52) 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 2 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-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed