SCHEMBL29344761

SCHEMBL29344761

COCC(C)c1cnn2c(Cl)cc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.35
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
MALT1 Q9UDY8 2/20 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
SCHEMBL29344706 0.83 CDK2 (0.37) CDK2PDE10AKDM4ERAB9AALDH1A1
SCHEMBL24964837 0.83 CDK2 (0.36) CDK2PDE10AKDM4ERAB9AALDH1A1
SCHEMBL1370649 0.81 CDK2 (0.40) CDK2PDE10AKDM4ERAB9AALDH1A1
SCHEMBL13650606 0.69 ALDH1A1 (0.44) CDK2PDE10AKDM4ERAB9AALDH1A1
SCHEMBL5119212 0.68 PDE10A (0.40) CDK2PDE10AKDM4ERAB9AALDH1A1
SCHEMBL12953072 0.68 PDE10A (0.46) CDK2PDE10AKDM4ERAB9AALDH1A1
SCHEMBL20971704 0.67 MAPT (0.54) CDK2KDM4ERAB9AALDH1A1MAPT
SCHEMBL26974008 0.67 CDK2 (0.40) CDK2KDM4EALDH1A1MAPTGSK3B
SCHEMBL17625103 0.67 CDK2 (0.40) CDK2GSK3B
SCHEMBL23181597 0.66 KDM4E (0.40) CDK2KDM4ERAB9AALDH1A1MAPT

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-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed