SCHEMBL14964248

SCHEMBL14964248

CC[C@H](CO)Nc1cc(N(C)c2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.56
▸ CCNA2 P20248 8/20 0.56
▸ CCNE1 P24864 7/20 0.56
▸ CCNK O75909 7/20 0.56
▸ CDK12 Q9NYV4 7/20 0.56
▸ CCNA1 P78396 6/20 0.56
▸ CCNE2 O96020 2/20 0.56
▸ DYRK1A Q13627 7/20 0.55
▸ CDK5 Q00535 11/20 0.50
▸ CDK1 P06493 9/20 0.50
▸ CDK9 P50750 8/20 0.50
▸ CDK5R1 Q15078 8/20 0.50
▸ CDK7 P50613 6/20 0.50
▸ CCNB1 P14635 6/20 0.50
▸ CCNT1 O60563 5/20 0.50
▸ CCNH P51946 4/20 0.50
▸ CSNK1A1 P48729 3/20 0.50
▸ MNAT1 P51948 3/20 0.50
▸ CDK4 P11802 3/20 0.50
▸ CCND1 P24385 3/20 0.50

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
SCHEMBL14964303 1.00 CDK2 (0.56) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL17628572 0.83 CDK2 (0.66) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL14964249 0.80 DYRK1A (0.82) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL14964304 0.80 DYRK1A (0.82) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL14964239 0.78 DYRK1A (0.54) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL19112178 0.76 NPSR1 (0.67) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL30356263 0.76 NPSR1 (0.67) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL19112192 0.76 NPSR1 (0.67) CDK2CCNA2CCNE1CCNKCDK12
SCHEMBL15387124 0.76 NPSR1 (0.67) CDK2CCNA2CCNE1CCNKCDK12
Hydrochloric Acid SCHEMBL23927315 0.76 NPSR1 (0.66) CDK2CCNA2CCNE1CCNKCDK12

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-8450342-B2 Perharidines as CDK inhibitors CENTRE NATIONALE DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-28 — — US disclosed
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