SCHEMBL4036381

SCHEMBL4036381

Cc1cccc(Cl)c1-c1cc(N(C)C2CCN(C)CC2)nc2c1nc(N)c1cncn12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.36
PTPN11 Q06124 4/20 0.35
PIK3CD O00329 1/20 0.34
SRC P12931 1/20 0.32
AXL P30530 1/20 0.32
MAP4K4 O95819 1/20 0.31

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
SCHEMBL4040159 0.78 LCK (0.38) LCKPIK3CD
SCHEMBL4036111 0.76 LCK (0.42) LCKSRC
SCHEMBL4042263 0.73 LCK (0.47) LCKSRC
SCHEMBL8469801 0.73 LCK (0.50) LCK
SCHEMBL6626588 0.73 LCK (0.43) LCK
SCHEMBL7983005 0.73 LCK (0.50) LCK
SCHEMBL7983561 0.72 LCK (0.47) LCK
SCHEMBL4041190 0.72 LCK (0.51) LCKSRC
SCHEMBL4042434 0.71 LCK (0.41) LCK
SCHEMBL4043255 0.71 NOS1 (0.40) LCKPIK3CD

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