SCHEMBL29344747

SCHEMBL29344747

COc1cc(CN(C)c2cc(Nc3cc(F)cc4c3OCCO4)nc3c(C(C)C)cnn23)cc(OC)c1OC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.30
CDK2 P24941 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
SCHEMBL29344744 0.93
SCHEMBL29344739 0.92 CXCR3 (0.33) P2RX7CDK2
SCHEMBL29344717 0.89 CDK2 (0.33) CDK2
SCHEMBL29344749 0.88 P2RX7 (0.33) P2RX7
SCHEMBL29344741 0.86 CXCR3 (0.32) P2RX7
SCHEMBL29344736 0.85 CXCR3 (0.32) P2RX7
SCHEMBL29344684 0.82 POLB (0.30)
SCHEMBL29344750 0.82 TYK2 (0.37)
SCHEMBL29344871 0.81 PTPN1 (0.34) P2RX7
SCHEMBL29344732 0.80 P2RX7 (0.31) P2RX7

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