SCHEMBL28037898

SCHEMBL28037898

FC(F)(F)c1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
SCN9A Q15858 1/20 0.54
KDM4E B2RXH2 1/20 0.53
KCNH3 Q9ULD8 1/20 0.53
SYK P43405 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
CDK2 P24941 2/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
IDH2 P48735 1/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
KDR P35968 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK8 P45983 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL28051498 0.92 IDH2 (0.53) KCNH2SCN9AKDM4EKCNH3SYK
SCHEMBL28051330 0.92 ADORA3 (0.59) KCNH2SCN9AKDM4EKCNH3SYK
SCHEMBL13064959 0.88 KDM4E (0.69) KCNH2SCN9AKDM4EKCNH3SYK
SCHEMBL6033558 0.88 APP (0.48) KCNH2SCN9AKDM4EKCNH3SYK
SCHEMBL28051487 0.87 KCNH3 (0.47) KCNH2SCN9AKDM4EKCNH3SYK
SCHEMBL14800688 0.84 KCNH2 (0.45) KCNH2SCN9AKDM4EKCNH3SYK
SCHEMBL28051328 0.84 TRPV1 (0.58) KDM4EKCNH3SMN1; SMN2CDK2JAK2
SCHEMBL28051435 0.84 KDM4E (0.56) KDM4EKCNH3SYKIDH2CDK1
SCHEMBL14214726 0.84 KDM4E (0.50) KCNH2SCN9AKDM4EKCNH3SMN1; SMN2
SCHEMBL91479 0.78 CDK2 (0.60) KCNH2SCN9AKCNH3SYKCDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254144-B A kind of cyanuric chloride derivant and its preparation method and application WUHAN INSTITUTE OF TECHNOLOGY (CN) 2015-10-28 CN claimed
CN-103254144-B A kind of cyanuric chloride derivant and its preparation method and application WUHAN INSTITUTE OF TECHNOLOGY (CN) 2015-10-28 CN disclosed
CN-103254144-B A kind of cyanuric chloride derivant and its preparation method and application WUHAN INSTITUTE OF TECHNOLOGY (CN) 2015-10-28 CN disclosed