SCHEMBL29638434

SCHEMBL29638434

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(C#N)c(F)c2)nc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TYK2 P29597 3/20 0.35
ABCG2 Q9UNQ0 3/20 0.33
PRKDC P78527 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
AR P10275 2/20 0.32
GRM5 P41594 1/20 0.32
TRPA1 O75762 1/20 0.30
KDM1A O60341 2/20 0.30
MAP4K1 Q92918 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 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
SCHEMBL24557313 1.00 CYP11B1 (0.35) CYP11B1CYP11B2TYK2ABCG2PRKDC
SCHEMBL24557293 0.89 CYP11B2 (0.37) CYP11B1CYP11B2TYK2AR
SCHEMBL29638460 0.89 CYP11B2 (0.37) CYP11B1CYP11B2TYK2AR
SCHEMBL29638479 0.89 ABCG2 (0.41) ABCG2AR
SCHEMBL24557317 0.89 ABCG2 (0.41) ABCG2AR
SCHEMBL29638471 0.88 IDH1 (0.34) TYK2PRKDCARMAP4K1
SCHEMBL24557251 0.86 JAK2 (0.37) TYK2ABCG2PRKDC
SCHEMBL29638415 0.86 JAK2 (0.37) TYK2ABCG2PRKDC
SCHEMBL24557311 0.83 PLK1 (0.41) TYK2ABCG2PRKDC
SCHEMBL29638431 0.83 PLK1 (0.41) TYK2ABCG2PRKDC

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