SCHEMBL2667657

SCHEMBL2667657

O=C(O)CSc1cnc(NC(=O)NC(=O)CCCC2CCCCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.46
▸ CCNE2 O96020 6/20 0.46
▸ CCNE1 P24864 6/20 0.46
▸ CCNB2 O95067 3/20 0.43
▸ CDK1 P06493 3/20 0.43
▸ CDK4 P11802 3/20 0.43
▸ CCNB1 P14635 3/20 0.43
▸ CCND1 P24385 3/20 0.43
▸ CCNB3 Q8WWL7 3/20 0.43
▸ P2RX7 Q99572 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HDAC3 O15379 3/20 0.38
▸ CCND3 P30281 3/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ CDK6 Q00534 3/20 0.38

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
SCHEMBL2667482 0.99 CCNE2 (0.44) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL9071847 0.94 CCNE2 (0.47) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL9072844 0.81 CCNE1 (0.62) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2667689 0.80 CCNE1 (0.46) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2666139 0.79 RAB9A (0.50) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL12384824 0.78 CCNE1 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2656567 0.77 CDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2656562 0.77 CDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL12384837 0.76 CDK2 (0.42) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL1240423 0.76 CDK2 (0.44) CDK2CCNE2CCNE1CCNB2CDK1

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
WO-2007006761-A1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 — — WO disclosed
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