SCHEMBL13925388

SCHEMBL13925388

Cc1c(C#N)c(NCCO)nc(NCCO)c1/N=N/c1nn(-c2nnc(CS)s2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ADORA1 P30542 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.30
▸ AURKA O14965 1/20 0.30

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
SCHEMBL13925671 0.80 CCNA2 (0.41) CCNA2CDK2CCNA1EGFRADORA1
SCHEMBL13134117 0.72 RAB9A (0.34) ADORA1KDM4EALDH1A1HPGDMEN1
SCHEMBL13925668 0.71 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL13928880 0.70 — —
SCHEMBL13610047 0.69 MAPT (0.34) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL15170343 0.68 CCNA2 (0.44) CCNA2CDK2CCNA1EGFRADORA1
SCHEMBL10119019 0.68 CCNA2 (0.44) CCNA2CDK2CCNA1EGFRADORA1
SCHEMBL13610059 0.68 — —
SCHEMBL13929081 0.68 ALDH1A1 (0.38) CCNA2CDK2CCNA1EGFRADORA1
SCHEMBL13929502 0.68 CCNA2 (0.41) CCNA2CDK2CCNA1EGFRADORA1

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
EP-2039725-A2 Azo pigment and pigment dispersion FUJIFILM Corporation (JP) 2009-03-25 — — EP disclosed
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