SCHEMBL4039717

SCHEMBL4039717

CN1CCCN(c2ccc3nc(Nc4c(F)cccc4Cl)c4cncn4c3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.60
SRC P12931 1/20 0.57

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
SCHEMBL4036391 0.97 LCK (0.60) LCKSRC
SCHEMBL4039965 0.91 LCK (0.73) LCKSRC
SCHEMBL4039577 0.90 LCK (0.64) LCKSRC
SCHEMBL4040834 0.87 LCK (0.60) LCKSRC
SCHEMBL4038625 0.87 LCK (0.73) LCKSRC
SCHEMBL4038769 0.86 LCK (0.57) LCKSRC
SCHEMBL4036314 0.86 LCK (0.63) LCKSRC
SCHEMBL4036290 0.86 LCK (0.54) LCKSRC
SCHEMBL4038093 0.85 LCK (0.54) LCKSRC
SCHEMBL4040626 0.85 LCK (0.54) LCKSRC

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 3 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
US-5990109-A NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA BRISTOL-MYERS SQUIBB CO. (US) 1999-11-23 US disclosed