SCHEMBL29344736

SCHEMBL29344736

COc1ccc(CN(C)c2cc(Nc3cc(F)cc4c3OCCO4)nc3c(C(C)CO)cnn23)cc1OC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.32
ALDH1A1 P00352 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYK2 P29597 1/20 0.30
PTPN1 P18031 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
SCHEMBL29344741 0.94 CXCR3 (0.32) CXCR3ALDH1A1GPBAR1LMNAMAPK1
SCHEMBL29344739 0.93 CXCR3 (0.33) CXCR3ALDH1A1GPBAR1LMNAMAPK1
SCHEMBL29344744 0.92
SCHEMBL29344684 0.92 POLB (0.30)
SCHEMBL29344724 0.88 ALDH1A1 (0.31) ALDH1A1LMNASMN1; SMN2
SCHEMBL29344871 0.87 PTPN1 (0.34) CXCR3ALDH1A1GPBAR1LMNAMAPK1
SCHEMBL29344747 0.85 P2RX7 (0.30) P2RX7
SCHEMBL29344717 0.84 CDK2 (0.33)
SCHEMBL29344732 0.82 P2RX7 (0.31) P2RX7
SCHEMBL23351255 0.78 ALDH1A1 (0.32) ALDH1A1P2RX7

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