SCHEMBL18436403

SCHEMBL18436403

COc1c(NCCNc2ncc(C(C)(C)O)cc2C)cnc2c(-c3ccc(C#N)cc3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.34
PDCD1 Q15116 4/20 0.32
CD274 Q9NZQ7 4/20 0.32
CTSA P10619 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SLC34A1 Q06495 1/20 0.32
MAPK14 Q16539 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ACP1 P24666 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
SCN8A Q9UQD0 1/20 0.31

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
SCHEMBL21336795 0.87 NTRK1 (0.33) EGLN1MAPK14SLC22A12
SCHEMBL21336578 0.82 TTK (0.32) EGLN1PDCD1CD274SLC22A12
SCHEMBL21336708 0.81 HTR1A (0.36) EGLN1PDCD1CD274SLC22A12ACP1
SCHEMBL18436820 0.80 ACP1 (0.36) ACP1
SCHEMBL18436682 0.80 RAD52 (0.38) EGLN1SLC22A12ACP1
SCHEMBL18436867 0.79 ENPP1 (0.34) KDM4EMAPTSAE1UBA2
SCHEMBL18436729 0.79 CD274 (0.43) EGLN1PDCD1CD274KDM4E
SCHEMBL18436930 0.78 POLB (0.39) EGLN1PDCD1CD274KDM4EMAPT
SCHEMBL18436859 0.77 TP53 (0.44) MAPT
SCHEMBL18436545 0.76 MTNR1A (0.39) EGLN1PDCD1CD274KDM4E

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