SCHEMBL469899

SCHEMBL469899

COc1c(C)nn(C)c(=O)c1-c1cn(C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
KDR P35968 2/20 0.46
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CDK2 P24941 2/20 0.44
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDGFRB P09619 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL15064066 0.83 GSK3B (0.49) GSK3BCCNT1CDK9CDK4CCND1
SCHEMBL15086662 0.80 GSK3B (0.46) GSK3BCCNT1CDK9CDK4CCND1
SCHEMBL469897 0.79 GSK3B (0.45) GSK3BCCNT1CDK9CDK4CCND1
SCHEMBL12906309 0.79 CDK8 (0.42) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19
SCHEMBL15353202 0.77 SIRT2 (0.46) GSK3BCCNT1CDK9KDRCDK4
SCHEMBL15353532 0.72 IMPDH2 (0.42) MEN1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL22500189 0.72 MAPT (0.38) MEN1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL29382005 0.72 MAPT (0.38) MEN1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL513464 0.71 ESRRA (0.36) MEN1ALDH1A1KMT2APOLBTSHR
SCHEMBL18858379 0.71 PDE4A (0.64) GSK3BCCNT1CDK9CDK4CCND1

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
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed