SCHEMBL10119019

SCHEMBL10119019

Cc1c(C#N)sc(/N=N/c2c(NCCO)nc(NCCO)c(C#N)c2C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ CCNA1 P78396 4/20 0.44
▸ EGFR P00533 1/20 0.44
▸ KDM4E B2RXH2 10/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ HPGD P15428 2/20 0.40
▸ AURKA O14965 2/20 0.39
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ GLA P06280 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL15170343 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL10119066 0.93 KDM4E (0.39) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL15169765 0.84 SMN1; SMN2 (0.42) —
SCHEMBL15169763 0.84 SMN1; SMN2 (0.42) —
SCHEMBL10119018 0.81 TP53 (0.35) ALDH1A1TP53
SCHEMBL10119233 0.80 TP53 (0.30) ALDH1A1TP53POLB
SCHEMBL19980890 0.76 TP53 (0.31) TP53
SCHEMBL14004445 0.75 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL14004448 0.75 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL13904473 0.74 ADORA2A (0.40) KDM4EALDH1A1HPGDHTTMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 — — US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 — — US disclosed
WO-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 — — WO disclosed
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