SCHEMBL14757456

SCHEMBL14757456

CN1C(=O)C2=C(c3ccc(-c4cccs4)s3)N(C)C(=O)C2=C1c1ccc2c(c1)oc1cc(C3=C4C(=O)N(C)C(c5ccc(-c6cccs6)s5)=C4C(=O)N3C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.41
▸ DPP4 P27487 4/20 0.37
▸ PGR P06401 1/20 0.36
▸ MMP12 P39900 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPK14 Q16539 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL22591743 0.90 PRKDC (0.35) PRKDCDPP4PGRMMP12
SCHEMBL12725123 0.84 DPP4 (0.50) DPP4KDM4EALDH1A1GAALMNA
SCHEMBL12725117 0.84 DPP4 (0.50) DPP4KDM4EALDH1A1GAALMNA
SCHEMBL22591703 0.83 KDM4E (0.32) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL15932569 0.81 DPP4 (0.46) DPP4KDM4EALDH1A1GAALMNA
SCHEMBL15932568 0.81 DPP4 (0.46) DPP4KDM4EALDH1A1GAALMNA
SCHEMBL15932566 0.81 DPP4 (0.46) DPP4KDM4EALDH1A1GAALMNA
SCHEMBL12725115 0.74 PRKCA (0.38) DPP4KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL15249512 0.74 APP (0.44) DPP4KDM4EALDH1A1GAALMNA
SCHEMBL12725187 0.73 LTA4H (0.44) PGRKDM4ELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751855-B1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS BASF SE (DE) 2020-10-28 — — EP disclosed
US-9209412-B2 Diketopyrrolopyrrole oligomers and compositions, comprising diketopyrrolopyrrole oligomers BASF SE (DE) 2015-12-08 — — US disclosed
US-9209412-B2 Diketopyrrolopyrrole oligomers and compositions, comprising diketopyrrolopyrrole oligomers BASF SE (DE) 2015-12-08 — — US disclosed
US-20140217329-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2014-08-07 — — US disclosed
US-20140217329-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2014-08-07 — — US disclosed
WO-2013030325-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS BASF SE (DE) 2013-03-07 — — WO disclosed
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