SCHEMBL4041102

SCHEMBL4041102

Cc1cccc(Cl)c1Nc1nc2ccc(N3CCC(C(N)=O)CC3)nc2n2cncc12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.68
SRC P12931 1/20 0.68

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
SCHEMBL4038851 0.91 LCK (0.69) LCKSRC
SCHEMBL4045378 0.90 LCK (0.72) LCKSRC
SCHEMBL4036075 0.89 LCK (0.76) LCKSRC
SCHEMBL4039580 0.88 LCK (0.69) LCKSRC
SCHEMBL4038483 0.87 LCK (0.75) LCKSRC
SCHEMBL4038986 0.87 LCK (0.68) LCKSRC
SCHEMBL4037424 0.87 LCK (0.75) LCKSRC
SCHEMBL4038195 0.87 LCK (0.75) LCKSRC
SCHEMBL4039733 0.87 LCK (0.75) LCKSRC
SCHEMBL4039788 0.87 LCK (0.75) 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 5 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
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP disclosed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO 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