SCHEMBL31426424

SCHEMBL31426424

C#Cc1cc(C)nc(OC2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.39
CDK4 P11802 1/20 0.38
GRM5 P41594 7/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PTGS1 P23219 4/20 0.34
LDHA P00338 1/20 0.33

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
SCHEMBL26618046 1.00 PDE2A (0.39) PDE2ACDK4GRM5PDGFRBPDGFRA
SCHEMBL26618169 0.77 CDK4 (0.36) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL30643012 0.77 CDK4 (0.36) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL3410707 0.76 CDK4 (0.40) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL19899744 0.75 FFAR4 (0.41) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL11788449 0.74 GRM5 (0.42) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL19862428 0.73 CDK4 (0.41) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL19510918 0.72 FFAR4 (0.39) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL23790497 0.71 LRRK2 (0.44) CDK4GRM5PDGFRBPDGFRAFFAR4
SCHEMBL30775428 0.68 HRH1 (0.43) LDHA

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
CN-119451951-A Compounds for inhibition of KIF18A 沃拉斯查疗法公司 2025-02-14 CN disclosed