SCHEMBL8400908

SCHEMBL8400908

Cc1cccc(C)c1Nc1nc2ccc(CNC(C)(O)CO)nc2n2cncc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.52
SRC P12931 3/20 0.44

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
SCHEMBL4039646 0.84 LCK (0.54) LCKSRC
SCHEMBL4040554 0.82 LCK (0.53) LCKSRC
SCHEMBL4036355 0.81 LCK (0.51) LCKSRC
SCHEMBL4036251 0.81 LCK (0.51) LCKSRC
SCHEMBL4041863 0.81 LCK (0.51) LCKSRC
SCHEMBL4045072 0.80 LCK (0.54) LCKSRC
SCHEMBL8400907 0.80 LCK (0.52) LCKSRC
SCHEMBL4039035 0.78 LCK (0.58) LCKSRC
SCHEMBL4043263 0.77 LCK (0.56) LCKSRC
SCHEMBL4038739 0.76 LCK (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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