SCHEMBL2065687

SCHEMBL2065687

CC(C)(C)N(Cc1ccc(Nc2ncc(SC#N)s2)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ CCNE2 O96020 3/20 0.39
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ CCND2 P30279 2/20 0.39
▸ CCND3 P30281 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ NTRK1 P04629 10/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ KDR P35968 4/20 0.36
▸ CDK5 Q00535 1/20 0.34
▸ ITK Q08881 1/20 0.33

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
SCHEMBL2066815 0.88 JAK3 (0.40) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2065714 0.83 JAK3 (0.39) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL3325437 0.80 NTRK1 (0.42) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2065120 0.79 CCNB2 (0.41) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL10193671 0.78 CCNB2 (0.42) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL3325439 0.78 NTRK1 (0.37) NTRK1KDRITK
SCHEMBL14046742 0.77 MYC (0.43) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2065789 0.76 CCNB2 (0.39) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2066374 0.76 KDM4E (0.39) —
SCHEMBL2065686 0.74 FFAR2 (0.37) CCNE1CDK2CCNE2CCNB2CDK1

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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