SCHEMBL14977880

SCHEMBL14977880

CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)cc(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 16/20 0.60
▸ CCNE1 P24864 16/20 0.60
▸ CDK2 P24941 16/20 0.60
▸ CCNA2 P20248 12/20 0.60
▸ CCNA1 P78396 12/20 0.60
▸ KDM4E B2RXH2 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CCNK O75909 1/20 0.54
▸ CDK12 Q9NYV4 1/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ CDK5 Q00535 1/20 0.54

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
SCHEMBL3510112 0.93 TDP1 (0.62) CDK2KDM4ENPC1MAPTTDP1
SCHEMBL14964174 0.89 DYRK1A (0.68) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL14964187 0.87 CDK1 (0.59) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL14977882 0.82 DYRK1A (0.58) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL14964207 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL14964177 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL14964188 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL14964329 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL14964171 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL14964170 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CCNA2CCNA1

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