SCHEMBL18436682

SCHEMBL18436682

COc1c(NCCN)cnc2c(-c3ccc(C#N)cc3)cccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
STAT3 P40763 1/20 0.35
FYN P06241 1/20 0.35
KDM1A O60341 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
ACP1 P24666 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HPGDS O60760 1/20 0.33
FERMT2 Q96AC1 1/20 0.33
SYK P43405 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL21336708 0.90 HTR1A (0.36) RAD52HRH4STAT3FYNEGLN1
SCHEMBL18436729 0.85 CD274 (0.43) EGLN1KDM4AKDM5B
SCHEMBL18436820 0.84 ACP1 (0.36) RAD52HRH4IRAK4ACP1KDM4A
SCHEMBL18436930 0.84 POLB (0.39) EGLN1HTR1AKDM4AKDM5B
SCHEMBL18436944 0.83 GRIA2 (0.40) STAT3IRAK4EGLN1HTR1AADRA1D
SCHEMBL18436758 0.82 KDM1A (0.34) KDM1AIRAK4HTR1AADRA1DADRA1A
SCHEMBL18436545 0.81 MTNR1A (0.39) EGLN1KDM4AKDM5B
SCHEMBL21336795 0.81 NTRK1 (0.33) STAT3KDM1AEGLN1HTR1AADRA1D
SCHEMBL21336578 0.81 TTK (0.32) HRH4STAT3FYNKDM1AEGLN1
SCHEMBL18436763 0.80 HRH4 (0.38) HRH4KDM1AACP1KDM4AKDM5B

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-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed