SCHEMBL29638417

SCHEMBL29638417

N#Cc1ccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.40
SRC P12931 7/20 0.39
LYN P07948 6/20 0.39
HPGD P15428 1/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
MIF P14174 1/20 0.36
TYK2 P29597 1/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL24557248 1.00 BTK (0.40) BTKSRCLYNHPGDPIK3CA
SCHEMBL29638318 0.85 BTK (0.53) BTKSRCLYNHPGDTYK2
SCHEMBL29638463 0.85 AR (0.47) BTKLYNSLC22A12
SCHEMBL24557291 0.85 AR (0.47) BTKLYNSLC22A12
SCHEMBL29638483 0.84 BTK (0.40) BTKSRCLYNHPGDCDK4
SCHEMBL24557323 0.83 AR (0.49) SLC22A12
SCHEMBL29638343 0.83 AR (0.49) SLC22A12
SCHEMBL29638427 0.83 SLC22A12 (0.45) SLC22A12TYK2
SCHEMBL24557301 0.82 BTK (0.45) BTKSRCLYN
SCHEMBL29638446 0.82 BTK (0.45) BTKSRCLYN

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