SCHEMBL1769116

SCHEMBL1769116

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 4/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
ATM Q13315 2/20 0.44
GLA P06280 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
ADORA1 P30542 6/20 0.42
ADORA2A P29274 5/20 0.42
ADORA2B P29275 1/20 0.42
PSMD14 O00487 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL1769255 0.90 KDM4E (0.44) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL1769102 0.81 HTT (0.41) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL1769028 0.81 MET (0.42) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL1768881 0.79 ADORA1 (0.40) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1769127 0.70 ADORA2A (0.46) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL14956448 0.65 MET (0.46) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL14970033 0.65 MET (0.46) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL6437228 0.63 MET (0.42) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6251718 0.62 KDM4E (1.00) KDM4EALDH1A1MAPTMAPK1HSD17B10
Hydrochloric Acid SCHEMBL23013699 0.62 MET (0.41) ADORA2A

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