SCHEMBL14977882

SCHEMBL14977882

CC[C@@H](N)CNc1cc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.58
▸ CCNE2 O96020 18/20 0.58
▸ CCNE1 P24864 18/20 0.58
▸ CDK2 P24941 18/20 0.58
▸ CCNA2 P20248 14/20 0.58
▸ CCNA1 P78396 14/20 0.58
▸ CCNK O75909 1/20 0.52
▸ CDK12 Q9NYV4 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL14964177 0.84 CCNE2 (0.54) DYRK1ACCNE2CCNE1CDK2CCNA2
SCHEMBL14964188 0.84 CCNE2 (0.54) DYRK1ACCNE2CCNE1CDK2CCNA2
SCHEMBL14964207 0.84 CCNE2 (0.54) DYRK1ACCNE2CCNE1CDK2CCNA2
Hydrochloric Acid SCHEMBL14964171 0.84 CCNE2 (0.54) DYRK1ACCNE2CCNE1CDK2CCNA2
Hydrochloric Acid SCHEMBL14964170 0.84 CCNE2 (0.54) DYRK1ACCNE2CCNE1CDK2CCNA2
Hydrochloric Acid SCHEMBL14964329 0.84 CCNE2 (0.54) DYRK1ACCNE2CCNE1CDK2CCNA2
SCHEMBL14964304 0.83 DYRK1A (0.82) DYRK1ACCNE2CCNE1CDK2CCNA2
SCHEMBL14964249 0.83 DYRK1A (0.82) DYRK1ACCNE2CCNE1CDK2CCNA2
SCHEMBL14977880 0.82 CCNE2 (0.60) DYRK1ACCNE2CCNE1CDK2CCNA2
SCHEMBL13072058 0.82 KDM4E (0.60) DYRK1ACCNE1CDK2KDM4ENPC1

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
Send feedback