SCHEMBL13929377

SCHEMBL13929377

Cc1nc(/N=N/c2cc(C#N)c(NCCO)nc2NCCO)nn1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CFTR P13569 5/20 0.37
▸ ALDH1A1 P00352 8/20 0.33
▸ KDM4E B2RXH2 7/20 0.33
▸ HPGD P15428 4/20 0.33
▸ GAA P10253 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL13929037 0.70 ILK (0.39) CCNA2CDK2CCNA1EGFRCFTR
SCHEMBL13929502 0.66 CCNA2 (0.41) CCNA2CDK2CCNA1EGFRALDH1A1
SCHEMBL13814019 0.65 CCNA2 (0.40) CCNA2CDK2CCNA1EGFRALDH1A1
SCHEMBL13802992 0.64 ALDH1A1 (0.40) CCNA2CDK2CCNA1EGFRCFTR
SCHEMBL7291890 0.62 CYP1A2 (0.58) CCNA2CDK2CCNA1EGFRCFTR
SCHEMBL13803000 0.62 CCNA2 (0.38) CCNA2CDK2CCNA1EGFRALDH1A1
SCHEMBL13925393 0.62 CDK2 (0.38) CCNA2CDK2CCNA1EGFR
SCHEMBL6697261 0.61 NPC1 (0.58) CCNA2CDK2CCNA1EGFRALDH1A1
SCHEMBL7282692 0.61 SMN1; SMN2 (0.47) CCNA2CDK2CCNA1EGFRCFTR
SCHEMBL30656353 0.60 CCNA2 (0.63) CCNA2CDK2CCNA1EGFRALDH1A1

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-2039726-A2 Azo pigment and pigment dispersion FUJIFILM Corporation (JP) 2009-03-25 — — EP disclosed
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