SCHEMBL29344696

SCHEMBL29344696

CCCc1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cc(F)cc4c3OCCO4)nc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.33
HRAS P01112 1/20 0.30
KRAS P01116 1/20 0.30
P2RX7 Q99572 1/20 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
SCHEMBL29344749 0.89 P2RX7 (0.33) P2RX7
SCHEMBL23351255 0.89 ALDH1A1 (0.32) CRHR1HRASKRASP2RX7
SCHEMBL29344717 0.87 CDK2 (0.33) CRHR1HRASKRAS
SCHEMBL29344684 0.85 POLB (0.30)
SCHEMBL26993043 0.81 TYK2 (0.38)
SCHEMBL29344871 0.80 PTPN1 (0.34) P2RX7
SCHEMBL29344732 0.79 P2RX7 (0.31) CRHR1P2RX7
SCHEMBL29344739 0.79 CXCR3 (0.33) P2RX7
SCHEMBL29344741 0.79 CXCR3 (0.32) P2RX7
SCHEMBL29344691 0.78 TYK2 (0.40)

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