SCHEMBL14460950

SCHEMBL14460950

Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCC1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.88
ITK Q08881 2/20 0.72
CDK2 P24941 1/20 0.66
JAK3 P52333 1/20 0.65
BTK Q06187 1/20 0.65

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
SCHEMBL14460947 0.99 NTRK1 (0.87) NTRK1ITKCDK2JAK3BTK
SCHEMBL5655992 0.93 NTRK1 (1.00) NTRK1ITKCDK2JAK3BTK
SCHEMBL14460971 0.92 NTRK1 (0.82) NTRK1ITKCDK2JAK3BTK
SCHEMBL5657610 0.91 NTRK1 (0.84) NTRK1ITKCDK2JAK3BTK
SCHEMBL5659174 0.91 NTRK1 (0.81) NTRK1ITKCDK2JAK3BTK
SCHEMBL5658598 0.91 NTRK1 (0.84) NTRK1ITKCDK2JAK3BTK
SCHEMBL5655936 0.91 NTRK1 (0.75) NTRK1ITKCDK2JAK3BTK
SCHEMBL14460915 0.90 NTRK1 (0.75) NTRK1ITKCDK2JAK3BTK
SCHEMBL5657134 0.90 NTRK1 (0.75) NTRK1ITKCDK2JAK3BTK
SCHEMBL14460962 0.89 NTRK1 (0.79) NTRK1ITKCDK2JAK3BTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed