SCHEMBL29344742

SCHEMBL29344742

COc1cc(CN(C)c2cc(Cl)nc3c(C(C)CO)cnn23)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
CHRM4 P08173 1/20 0.31
ADRA2C P18825 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL29344733 0.90 ALDH1A1 (0.36) HSP90AA1KDM4EMEN1KMT2A
SCHEMBL29344675 0.85 ALDH1A1 (0.34) HSP90AA1HSP90AB1KDM4E
SCHEMBL29344718 0.82 DHFR (0.37) KDM4EMEN1TSHRKMT2A
SCHEMBL29344744 0.75
SCHEMBL29344706 0.71 CDK2 (0.37) KDM4EMEN1CYP2C9CYP2C19KMT2A
SCHEMBL23327500 0.66 ALDH1A1 (0.43) HSP90AA1KDM4EKMT2A
SCHEMBL23351205 0.65 ALDH1A1 (0.35) HSP90AA1KDM4EMEN1KMT2A
SCHEMBL20689640 0.64 KDM4E (0.46) KDM4EMEN1TSHRKMT2AHSD17B10
SCHEMBL20696803 0.63 SMN1; SMN2 (0.43) KDM4EMEN1TSHRKMT2AHSD17B10
SCHEMBL21811192 0.63 KDM4E (0.44) KDM4ETSHRHSD17B10

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