SCHEMBL29344717

SCHEMBL29344717

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.33
ACVR1B P36896 4/20 0.33
TGFBR1 P36897 4/20 0.33
ACVRL1 P37023 4/20 0.33
ACVR1 Q04771 4/20 0.33
BMPR1B O00238 3/20 0.33
CCNE1 P24864 3/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
MNAT1 P51948 2/20 0.33
BMPR1A P36894 1/20 0.33
CDK9 P50750 1/20 0.31
HRAS P01112 1/20 0.31
KRAS P01116 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
POLB P06746 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
SCHEMBL29344684 0.93 POLB (0.30) POLB
SCHEMBL29344739 0.91 CXCR3 (0.33) CDK2CCNE1CDK9
SCHEMBL23351255 0.89 ALDH1A1 (0.32) HRASKRASCRHR1
SCHEMBL29344747 0.89 P2RX7 (0.30) CDK2
SCHEMBL29344696 0.87 CRHR1 (0.33) HRASKRASCRHR1
SCHEMBL29344741 0.85 CXCR3 (0.32)
SCHEMBL29344736 0.84 CXCR3 (0.32)
SCHEMBL29344732 0.84 P2RX7 (0.31) CRHR1
SCHEMBL29344724 0.83 ALDH1A1 (0.31)
SCHEMBL29344744 0.82

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