SCHEMBL4040159

SCHEMBL4040159

CNCCN(C)c1cc(-c2c(C)cccc2Cl)c2nc(N)c3cncn3c2n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PIK3CD O00329 1/20 0.35

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
SCHEMBL4043255 0.94 NOS1 (0.40) LCKNOS1NOS2PIK3CD
SCHEMBL4038275 0.83 LCK (0.40) LCK
SCHEMBL4042263 0.82 LCK (0.47) LCK
SCHEMBL4036111 0.81 LCK (0.42) LCK
SCHEMBL4036381 0.78 LCK (0.36) LCKPIK3CD
SCHEMBL4042434 0.78 LCK (0.41) LCK
SCHEMBL7979958 0.77 LCK (0.56) LCK
SCHEMBL7983561 0.76 LCK (0.47) LCK
SCHEMBL4036365 0.76 FGFR1 (0.40) LCK
SCHEMBL8469801 0.75 LCK (0.50) 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