SCHEMBL2067910

SCHEMBL2067910

CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccc(CN(C(=O)O)C(C)(C)C)cn3)s2)c1F)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ KDR P35968 2/20 0.32
▸ CCNB2 O95067 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCND2 P30279 1/20 0.30
▸ CCND3 P30281 1/20 0.30
▸ CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL2065917 0.93 JAK3 (0.35) NTRK1JAK3KDR
SCHEMBL2065278 0.91 NTRK1 (0.37) NTRK1JAK3KDRCCNB2CCNE2
SCHEMBL2066215 0.90 NTRK1 (0.35) NTRK1JAK3KDRCCNB2CCNE2
SCHEMBL2065722 0.89 NTRK1 (0.38) NTRK1JAK3KDRCCNB2CCNE2
SCHEMBL2066846 0.89 NTRK1 (0.37) NTRK1JAK3KDRCCNB2CCNE2
SCHEMBL2065454 0.89 JAK3 (0.34) NTRK1JAK3KDR
SCHEMBL2065587 0.89 KDR (0.35) NTRK1JAK3KDRCCNB2CCNE2
SCHEMBL2066849 0.87 NTRK1 (0.33) NTRK1JAK3KDR
SCHEMBL2065676 0.87 NTRK1 (0.33) NTRK1JAK3KDRCCNB2CCNE2
SCHEMBL10193882 0.87 NTRK1 (0.34) NTRK1JAK3KDRCCNB2CCNE2

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-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
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