SCHEMBL7166264

SCHEMBL7166264

CC(=O)n1c(N)nc2c(c1=O)N=C[N]2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
TNK2 Q07912 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL9564681 0.88
SCHEMBL6754824 0.84 ELANE (0.30)
SCHEMBL9260485 0.62 ADORA2A (0.34)
SCHEMBL218666 0.61 GDA (0.34)
SCHEMBL218669 0.61 MGMT (0.45)
Bromide SCHEMBL8165615 0.61 MGMT (0.44)
Benzene SCHEMBL8024450 0.60 MGMT (0.43)
SCHEMBL29219227 0.57 POLB (0.43)
SCHEMBL2734243 0.54 HSP90AB1 (0.34)
SCHEMBL1025894 0.54 CCNA2 (0.37)

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
US-RE38090-E1 Antitumor activity; useful for treatment and prevention of cancers Matsuda, Akira (JP) 2003-04-22 US claimed
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 EP disclosed