SCHEMBL16092392

SCHEMBL16092392

CC(C)c1c(-c2cc(C3CC3)[nH]n2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 3/20 0.42
▸ KCNJ5 P48544 1/20 0.36
▸ KDM5A P29375 6/20 0.35
▸ RET P07949 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.32
▸ USP30 Q70CQ3 4/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL16092343 0.84 PLAT (0.42) PLATKDM5AKDM5BKDM4EALDH1A1
SCHEMBL16092414 0.81 PLAT (0.45) PLATKDM5AKDM4EALDH1A1
SCHEMBL16092344 0.79 PLAT (0.41) PLATKDM5ARETKDM5BKDM4E
SCHEMBL16092319 0.79 PLAT (0.42) PLATKDM5ARETKDM4EALDH1A1
SCHEMBL17547872 0.79 PLAT (0.43) PLATKDM5AKDM5BKDM4EALDH1A1
SCHEMBL16092368 0.78 KDM5B (0.47) PLATKDM5ARETKDM5BKDM4E
SCHEMBL16092240 0.78 PLAT (0.41) PLATKDM5AKDM5BKDM4EALDH1A1
SCHEMBL16050683 0.77 KDM5A (0.38) PLATKDM5AKDM5B
SCHEMBL17547841 0.77 PLAT (0.41) PLATKDM5AKDM5B
SCHEMBL20426060 0.77 PLAT (0.45) PLATKDM5AKDM5BKDM4EALDH1A1

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
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO disclosed
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