SCHEMBL3827871

SCHEMBL3827871

CCCC(O)(Cc1c(Sc2cnc(Nc3ccc(COC)cn3)s2)ccnc1C(N)=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.38
▸ KDR P35968 2/20 0.36
▸ JAK3 P52333 4/20 0.34
▸ BTK Q06187 2/20 0.32
▸ ITK Q08881 1/20 0.31

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
SCHEMBL2065587 0.83 KDR (0.35) NTRK1KDRJAK3BTKITK
SCHEMBL3832186 0.81 NTRK1 (0.47) NTRK1KDRJAK3BTKITK
SCHEMBL3827872 0.79 NTRK1 (0.42) NTRK1KDRITK
SCHEMBL3826242 0.77 NTRK1 (0.46) NTRK1KDRJAK3BTKITK
SCHEMBL3825428 0.77 NTRK1 (0.49) NTRK1KDRJAK3BTKITK
SCHEMBL2066215 0.76 NTRK1 (0.35) NTRK1KDRJAK3BTKITK
SCHEMBL2066846 0.76 NTRK1 (0.37) NTRK1KDRJAK3BTK
SCHEMBL2066196 0.75 JAK3 (0.40) NTRK1KDRJAK3BTKITK
SCHEMBL2065278 0.75 NTRK1 (0.37) NTRK1KDRJAK3BTKITK
SCHEMBL3832197 0.74 NTRK1 (0.45) NTRK1KDRJAK3BTK

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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