SCHEMBL29638463

SCHEMBL29638463

N#Cc1ccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
SLC22A12 Q96S37 14/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
BTK Q06187 3/20 0.39
LYN P07948 1/20 0.39
CYP11B2 P19099 1/20 0.38

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
SCHEMBL24557291 1.00 AR (0.47) ARSLC22A12CYP3A4CYP2C8CYP2C9
SCHEMBL24557295 0.88 BTK (0.43) BTKLYN
SCHEMBL29638577 0.88 BTK (0.43) BTKLYN
SCHEMBL29638343 0.87 AR (0.49) ARSLC22A12
SCHEMBL24557323 0.87 AR (0.49) ARSLC22A12
SCHEMBL29638427 0.86 SLC22A12 (0.45) SLC22A12
SCHEMBL24557248 0.85 BTK (0.40) SLC22A12BTKLYN
SCHEMBL29638417 0.85 BTK (0.40) SLC22A12BTKLYN
SCHEMBL24557301 0.82 BTK (0.45) BTKLYN
SCHEMBL29638446 0.82 BTK (0.45) BTKLYN

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed