SCHEMBL17254919

SCHEMBL17254919

Cc1cc(N2CCCC(N)C2)c2cc(C#N)c3nc4ccccc4n3c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 16/20 0.44
▸ CYP3A4 P08684 7/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ NCF1 P14598 1/20 0.39

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
SCHEMBL18057428 1.00 DPP4 (0.44) DPP4CYP3A4KDM4EALDH1A1HPGD
SCHEMBL22348882 0.88 DPP4 (0.46) DPP4CYP3A4KDM4EALDH1A1HPGD
SCHEMBL17254932 0.86 DPP4 (0.47) DPP4CYP3A4
SCHEMBL23160976 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL18057418 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL18057422 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL18042618 0.83 NCF1 (0.43) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL18042600 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL18042639 0.82 NCF1 (0.58) DPP4KDM4EALDH1A1HPGDGAA
SCHEMBL18059235 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDGAATSHR

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
WO-2015172123-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM HADDACH MUSTAPHA (US) 2015-11-12 — — WO disclosed
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