SCHEMBL29638577

SCHEMBL29638577

O=c1[nH]n(-c2ccc(Cl)c(Cl)c2)c2cc(Nc3ccc(F)cn3)ncc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.43
LYN P07948 6/20 0.43
SRC P12931 9/20 0.38
HPGD P15428 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
IDH1 O75874 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL24557295 1.00 BTK (0.43) BTKLYNSRCHPGDCHRNB4
SCHEMBL27199225 0.88 BTK (0.41) BTKLYNSRC
SCHEMBL29638463 0.88 AR (0.47) BTKLYN
SCHEMBL24557291 0.88 AR (0.47) BTKLYN
SCHEMBL29638467 0.88 BTK (0.41) BTKLYNSRC
SCHEMBL24557301 0.88 BTK (0.45) BTKLYNSRCIDH1
SCHEMBL29638446 0.88 BTK (0.45) BTKLYNSRCIDH1
SCHEMBL29638492 0.84 BTK (0.48) BTKLYNSRC
SCHEMBL29638318 0.84 BTK (0.53) BTKLYNSRCHPGD
SCHEMBL29638483 0.83 BTK (0.40) BTKLYNSRCHPGDCHRNB4

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