SCHEMBL878677

SCHEMBL878677

FC(F)(F)Oc1cccc(CNc2ccc3c(n2)NCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.46
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
CCNT1 O60563 1/20 0.43
PIM1 P11309 5/20 0.42
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
ITGB8 P26012 1/20 0.41
P2RX7 Q99572 1/20 0.40
SCD O00767 1/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
MPO P05164 1/20 0.39
FLT3 P36888 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8386400 0.78 ACHE (0.47) PIM1PIM2MAPK14
SCHEMBL413402 0.75 KCNN3 (0.47) KCNN3KDM5AKDM4CKDM5BCCNT1
SCHEMBL12132003 0.71 KDM4E (0.44) PIM1PIM3
SCHEMBL12960047 0.71 KDM4E (0.46) CCNT1ROCK2
SCHEMBL22102122 0.70 KDM5A (0.49) KCNN3KDM5AKDM4CKDM5BCCNT1
SCHEMBL22102194 0.70 KDM5A (0.49) KCNN3KDM5AKDM4CKDM5BCCNT1
SCHEMBL18525587 0.70 KDM5A (0.49) KCNN3KDM5AKDM4CKDM5BCCNT1
SCHEMBL4776208 0.69 KDM5A (0.47) KCNN3KDM5AKDM4CKDM5BCCNT1
SCHEMBL28658094 0.68 KDM5A (0.47) KCNN3KDM5AKDM4CKDM5BCCNT1
SCHEMBL28658271 0.68 KDM5A (0.50) KCNN3KDM5AKDM4CKDM5BCCNT1

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
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed