SCHEMBL29344871

SCHEMBL29344871

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
P2RX7 Q99572 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
CXCR3 P49682 2/20 0.31
POLB P06746 2/20 0.31
ERBB2 P04626 1/20 0.31
EPHA2 P29317 1/20 0.31
EPHB4 P54760 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ENPP1 P22413 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23351255 0.91 ALDH1A1 (0.32) P2RX7ALDH1A1KMT2A
SCHEMBL29344739 0.90 CXCR3 (0.33) GPBAR1P2RX7ALDH1A1CXCR3LMNA
SCHEMBL29344741 0.88 CXCR3 (0.32) GPBAR1P2RX7ALDH1A1CXCR3LMNA
SCHEMBL29344736 0.87 CXCR3 (0.32) PTPN1GPBAR1P2RX7ALDH1A1CXCR3
SCHEMBL29344747 0.81 P2RX7 (0.30) P2RX7
SCHEMBL29344749 0.81 P2RX7 (0.33) P2RX7ERBB2EPHA2EPHB4
SCHEMBL29344717 0.81 CDK2 (0.33) POLB
SCHEMBL29344696 0.80 CRHR1 (0.33) P2RX7
SCHEMBL29344744 0.79
SCHEMBL26253809 0.79 MAPT (0.34) ALDH1A1MAPTPOLBLMNAMAPK1

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