SCHEMBL18436862

SCHEMBL18436862

CCC(CC)NC(=O)NCCNc1cnc2c(-c3ccc(C#N)cc3)cccc2c1OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK1 P28482 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CTSA P10619 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL18436930 0.87 POLB (0.39) EGLN1KDM4EKDM4AKDM5BCNR2
SCHEMBL18436729 0.87 CD274 (0.43) EGLN1KDM4EKDM4AKDM5BMAPK1
SCHEMBL18436919 0.83 EGLN1 (0.36) EGLN1KDM4AKDM5BCNR2IRAK4
SCHEMBL18436545 0.83 MTNR1A (0.39) EGLN1KDM4EKDM4AKDM5BCNR2
SCHEMBL18436737 0.83 KDM4E (0.46) EGLN1KDM4EMAPK1
SCHEMBL18436859 0.83 TP53 (0.44) MAPK1
SCHEMBL21336708 0.82 HTR1A (0.36) EGLN1KDM4AKDM5BPDCD1CD274
SCHEMBL18436944 0.81 GRIA2 (0.40) EGLN1KDM4AKDM5BIRAK4
SCHEMBL18436681 0.81 GSK3B (0.38) KDM4AKDM5BCNR2PDCD1CD274
SCHEMBL18436682 0.80 RAD52 (0.38) EGLN1KDM4AKDM5BIRAK4

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-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed