SCHEMBL24349015

SCHEMBL24349015

CC(=N)/C=C(\O)c1cnc(NCc2ccc(F)cc2)nc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.37
CXCR4 P61073 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
MAPT P10636 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.35
KCNH3 Q9ULD8 2/20 0.35

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
SCHEMBL24348474 0.79 CNR2 (0.49) CXCR4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24348342 0.68 IGF1R (0.44) VNN1JAK3
SCHEMBL15358464 0.66 P4HTM (0.53) VNN1P4HTMMAPTCYP1A2CYP2C19
SCHEMBL26550849 0.65 MEN1 (0.43) MAPTMKNK1KDM4EMEN1HTT
SCHEMBL24349004 0.65 HDAC3 (0.40) VNN1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL24348357 0.63 MAPT (0.37) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25934308 0.62 VNN1 (0.52) VNN1P4HTMCYP1A2CYP2D6CYP2C9
SCHEMBL24348347 0.62 MAPK1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL34462257 0.62 KDM4E (0.53) VNN1MAPTJAK3KDM4EMEN1
SCHEMBL24348352 0.62 MAPK3 (0.31)

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-2022053803-A1 HERBICIDAL PYRIMIDINE DERIVATIVES MOA Technology Limited (GB) 2022-03-17 WO disclosed