SCHEMBL21336770

SCHEMBL21336770

COc1c(NCCNC(=O)CC2CCOCC2)cnc2c(-c3ccc(C#N)cc3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 14/20 0.40
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
VNN1 O95497 1/20 0.37
TTK P33981 2/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 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 0.86 POLB (0.39) EGLN1POLBMAPTPDCD1CD274
SCHEMBL18436545 0.85 MTNR1A (0.39) EGLN1PDCD1CD274
SCHEMBL18436729 0.84 CD274 (0.43) EGLN1PDCD1CD274
SCHEMBL18436737 0.82 KDM4E (0.46) EGLN1POLB
SCHEMBL18436681 0.82 GSK3B (0.38) POLBMAPTPDCD1CD274
SCHEMBL21336708 0.79 HTR1A (0.36) EGLN1PDCD1CD274
SCHEMBL18436862 0.79 EGLN1 (0.36) EGLN1PDCD1CD274
SCHEMBL18436919 0.79 EGLN1 (0.36) EGLN1PDCD1CD274
SCHEMBL18436682 0.78 RAD52 (0.38) EGLN1
SCHEMBL18436859 0.77 TP53 (0.44) MAPT

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-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed