SCHEMBL4038248

SCHEMBL4038248

Cc1cccc(F)c1Nc1nc2ccc(N3CC(C)NC(C)C3)nc2n2cncc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.67
SRC P12931 1/20 0.67
LYN P07948 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL4036276 0.94 LCK (0.72) LCKSRC
SCHEMBL4040593 0.90 LCK (0.83) LCKSRC
SCHEMBL4038158 0.86 LCK (0.64) LCKSRC
SCHEMBL4036450 0.85 LCK (0.74) LCKSRC
SCHEMBL4036702 0.84 LCK (0.89) LCKSRC
SCHEMBL4038587 0.84 LCK (0.89) LCKSRC
SCHEMBL4036163 0.82 LCK (0.64) LCKSRC
SCHEMBL4040687 0.82 LCK (0.64) LCKSRC
SCHEMBL4038032 0.81 LCK (0.83) LCKSRC
SCHEMBL4037737 0.81 LCK (0.83) 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