SCHEMBL4036314

SCHEMBL4036314

Cc1cccc(C)c1Nc1nc2ccc(N3CCCN(C)CC3)nc2n2cncc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.63
SRC P12931 2/20 0.59

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
SCHEMBL4042825 0.96 LCK (0.63) LCKSRC
SCHEMBL4039965 0.94 LCK (0.73) LCKSRC
SCHEMBL4038625 0.90 LCK (0.73) LCKSRC
SCHEMBL4037994 0.87 LCK (0.66) LCKSRC
SCHEMBL4039717 0.86 LCK (0.60) LCKSRC
SCHEMBL4038483 0.86 LCK (0.75) LCKSRC
SCHEMBL4039577 0.85 LCK (0.64) LCKSRC
SCHEMBL4036135 0.85 LCK (0.69) LCKSRC
SCHEMBL4036051 0.85 LCK (0.57) LCKSRC
SCHEMBL4041922 0.85 LCK (0.74) 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