SCHEMBL4350697

SCHEMBL4350697

C=CCn1cc(C#N)c(N)n1.C=CCn1ncc(C#N)c1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
XDH P47989 1/20 0.30
ABL1 P00519 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL2076292 0.86 PKM (0.51) PKMFNTAFNTBTP53KMT2A
SCHEMBL2076352 0.86 TP53 (0.38) TP53KMT2AKDM4EMEN1ALOX15
SCHEMBL4190412 0.74 PKM (0.41) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL4338327 0.72 KDR (0.40) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL4354692 0.68 TSHR (0.43)
SCHEMBL174800 0.67 PKM (0.53) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL2193196 0.66 PKM (0.55) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL8234335 0.66 PKM (0.55) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL8241443 0.66 RECQL (0.35) KMT2AKDM4EMEN1HSD17B10
SCHEMBL12427514 0.65 ALDH1A1 (0.34)

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-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed