SCHEMBL29638415

SCHEMBL29638415

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(C#N)cc2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CA P42336 2/20 0.36
PRKDC P78527 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MTOR P42345 1/20 0.34
TYK2 P29597 6/20 0.34
IDH1 O75874 1/20 0.33
SLC34A1 Q06495 1/20 0.33
BTK Q06187 3/20 0.33
MAPT P10636 1/20 0.33
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAP3K12 Q12852 1/20 0.32

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
SCHEMBL24557251 1.00 JAK2 (0.37) JAK2JAK1JAK3PIK3CAPRKDC
SCHEMBL24557311 0.89 PLK1 (0.41) PRKDCABCG2TYK2MAP3K12
SCHEMBL29638431 0.89 PLK1 (0.41) PRKDCABCG2TYK2MAP3K12
SCHEMBL29638437 0.87 HPGD (0.40) TYK2MAPTCYP1A2HPGDCYP2C19
SCHEMBL29638464 0.86 NPC1 (0.41) TYK2BTKMAPTLYNSRC
SCHEMBL24557258 0.86 NPC1 (0.41) TYK2BTKMAPTLYNSRC
SCHEMBL24557293 0.86 CYP11B2 (0.37) TYK2
SCHEMBL24557313 0.86 CYP11B1 (0.35) PRKDCABCG2TYK2
SCHEMBL29638460 0.86 CYP11B2 (0.37) TYK2
SCHEMBL29638434 0.86 CYP11B1 (0.35) PRKDCABCG2TYK2

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