SCHEMBL2065686

SCHEMBL2065686

CC(C)(C)C(NC(=O)O)c1ccc(Nc2ncc(SC#N)s2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 2/20 0.37
▸ NTRK1 P04629 11/20 0.36
▸ KDR P35968 3/20 0.35
▸ CCNB2 O95067 2/20 0.32
▸ CCNE2 O96020 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CDK4 P11802 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCND2 P30279 2/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ CCNB3 Q8WWL7 2/20 0.32
▸ MYC P01106 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL2065687 0.74 CCNE1 (0.39) NTRK1KDRCCNB2CCNE2CDK1
SCHEMBL3325437 0.74 NTRK1 (0.42) NTRK1KDRCCNB2CCNE2CDK1
SCHEMBL3325439 0.74 NTRK1 (0.37) NTRK1KDRMYCWDR5
SCHEMBL2066815 0.71 JAK3 (0.40) NTRK1KDRCCNB2CCNE2CDK1
SCHEMBL6425764 0.71 AR (0.42) FFAR2
SCHEMBL10193671 0.71 CCNB2 (0.42) NTRK1CCNB2CCNE2CDK1CDK4
SCHEMBL2065120 0.70 CCNB2 (0.41) NTRK1KDRCCNB2CCNE2CDK1
SCHEMBL2065714 0.69 JAK3 (0.39) NTRK1KDRCCNB2CCNE2CDK1
SCHEMBL2067913 0.68 NTRK1 (0.33) NTRK1
SCHEMBL14046742 0.68 MYC (0.43) NTRK1KDRCCNB2CCNE2CDK1

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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