SCHEMBL7123044

SCHEMBL7123044

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)sc3c2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.64
CSNK1D P48730 2/20 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
SCHEMBL6058171 0.84 LCK (0.66) LCKCSNK1D
SCHEMBL6057780 0.84 LCK (0.68) LCKCSNK1D
SCHEMBL6058058 0.83 LCK (0.66) LCK
SCHEMBL6057796 0.82 LCK (0.78) LCK
SCHEMBL6058230 0.81 LCK (0.78) LCK
SCHEMBL6058128 0.81 LCK (0.63) LCK
SCHEMBL6057736 0.81 LCK (0.74) LCK
SCHEMBL6058148 0.80 CSNK1D (0.71) LCKCSNK1D
SCHEMBL6058232 0.80 LCK (0.75) LCK
SCHEMBL6057811 0.80 LCK (0.84) LCK

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-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US disclosed