SCHEMBL29344684

SCHEMBL29344684

COc1ccc(CN(C)c2cc(Nc3cc(F)cc4c3OCCO4)nc3c(C(C)CO)cnn23)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.30
▸ PLK4 O00444 1/20 0.30
▸ NTRK1 P04629 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
SCHEMBL29344717 0.93 CDK2 (0.33) POLB
SCHEMBL29344736 0.92 CXCR3 (0.32) —
SCHEMBL29344724 0.90 ALDH1A1 (0.31) —
SCHEMBL29344744 0.90 — —
SCHEMBL23351255 0.87 ALDH1A1 (0.32) —
SCHEMBL29344741 0.85 CXCR3 (0.32) —
SCHEMBL29344696 0.85 CRHR1 (0.33) —
SCHEMBL29344739 0.84 CXCR3 (0.33) —
SCHEMBL29344732 0.84 P2RX7 (0.31) —
SCHEMBL29344747 0.82 P2RX7 (0.30) —

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
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