SCHEMBL1769255

SCHEMBL1769255

Cc1nc(-c2ccc(Cl)cc2)c(C#N)c(-c2cc3c(N)nccc3o2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
MAPT P10636 6/20 0.44
HPGD P15428 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 3/20 0.44
PKM P14618 3/20 0.44
ALOX12 P18054 3/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
PPARG P37231 1/20 0.43
STAT3 P40763 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MET P08581 1/20 0.43
ADORA2A P29274 5/20 0.41
ADORA1 P30542 4/20 0.41

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
SCHEMBL1769116 0.90 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1769127 0.79 ADORA2A (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1769102 0.78 HTT (0.41) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1769028 0.78 MET (0.42) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1768881 0.70 ADORA1 (0.40) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL12649898 0.65 MET (0.51) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL6437228 0.63 MET (0.42) KDM4EALDH1A1MAPTHPGDMEN1
Hydrochloric Acid SCHEMBL23013699 0.62 MET (0.41) METADORA2A
SCHEMBL30656203 0.61 ADORA1 (0.59) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL26632974 0.61 ADORA1 (0.59) KDM4EMAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501700-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Bayer Intellectual Property GmbH (DE) 2012-09-26 EP disclosed
WO-2011061157-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed