SCHEMBL4043255

SCHEMBL4043255

CNCCN(C)c1cc(-c2c(C)cccc2C)c2nc(N)c3cncn3c2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
PIK3CD O00329 7/20 0.37
LCK P06239 8/20 0.33
FGFR1 P11362 1/20 0.33
NOS3 P29474 1/20 0.33

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 0.94 LCK (0.38) NOS1NOS2PIK3CDLCK
SCHEMBL4043849 0.80 LCK (0.43) PIK3CDLCKFGFR1
SCHEMBL4038275 0.76 LCK (0.40) LCK
SCHEMBL4042263 0.75 LCK (0.47) LCKFGFR1
SCHEMBL4036111 0.73 LCK (0.42) LCKFGFR1
SCHEMBL8472491 0.72 LCK (0.44) LCKFGFR1
SCHEMBL4036381 0.71 LCK (0.36) PIK3CDLCK
SCHEMBL8469310 0.70 LCK (0.46) LCKFGFR1
SCHEMBL4042434 0.70 LCK (0.41) LCKFGFR1
SCHEMBL7979958 0.69 LCK (0.56) 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