SCHEMBL3827872

SCHEMBL3827872

CCCC(O)(CNC(=O)c1cc(Sc2cnc(Nc3ccc(COC)cn3)s2)ccn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.42
▸ KDR P35968 2/20 0.38
▸ ITK Q08881 2/20 0.36

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
SCHEMBL2067665 0.89 NTRK1 (0.54) NTRK1KDRITK
SCHEMBL2065465 0.82 NTRK1 (0.55) NTRK1KDRITK
SCHEMBL2065674 0.81 NTRK1 (0.54) NTRK1KDRITK
SCHEMBL3827871 0.79 NTRK1 (0.38) NTRK1KDRITK
SCHEMBL2065902 0.79 NTRK1 (0.53) NTRK1KDRITK
SCHEMBL2065278 0.78 NTRK1 (0.37) NTRK1KDRITK
SCHEMBL2065104 0.77 NTRK1 (0.56) NTRK1KDRITK
SCHEMBL2066215 0.77 NTRK1 (0.35) NTRK1KDRITK
SCHEMBL2066846 0.77 NTRK1 (0.37) NTRK1KDR
SCHEMBL2065722 0.77 NTRK1 (0.38) NTRK1KDRITK

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
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 — — EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — WO disclosed
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