SCHEMBL29638528

SCHEMBL29638528

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(CN(C)C)c2)nc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.33
CAMK2D Q13557 1/20 0.33
TP53 P04637 1/20 0.32
BTK Q06187 3/20 0.32
LYN P07948 3/20 0.32
SRC P12931 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
JAK1 P23458 1/20 0.32
PARP1 P09874 2/20 0.31
TNKS O95271 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL29638352 0.89 ABCG2 (0.37) TYK2TP53BTKLYNSRC
SCHEMBL29638438 0.87 TYK2 (0.36) TYK2TP53JAK1MAPT
SCHEMBL24557361 0.85 MAPT (0.45) TYK2LYNSRCPOLBGAA
SCHEMBL29638464 0.84 NPC1 (0.41) TYK2TP53BTKLYNSRC
SCHEMBL24557258 0.84 NPC1 (0.41) TYK2TP53BTKLYNSRC
SCHEMBL24557263 0.84 TYK2 (0.39) TYK2BTKSRCJAK1POLB
SCHEMBL29638451 0.84 TYK2 (0.39) TYK2BTKSRCJAK1POLB
SCHEMBL24557308 0.83 TYK2 (0.40) TYK2TP53JAK1MAPTMEN1
SCHEMBL29638404 0.83 TYK2 (0.40) TYK2TP53JAK1MAPTMEN1
SCHEMBL29638367 0.83 TYK2 (0.36) TYK2JAK1GAAMAPTMEN1

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