SCHEMBL29638468

SCHEMBL29638468

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
SYK P43405 5/20 0.36
MAP3K12 Q12852 2/20 0.35
GRM2 Q14416 1/20 0.34
TYK2 P29597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33

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
SCHEMBL29638398 0.89 CDK4 (0.40) SYKTYK2KDM4EGAAMAPT
SCHEMBL29638466 0.88 MAPT (0.39) TYK2MAPT
SCHEMBL24557273 0.88 MAPT (0.39) TYK2MAPT
SCHEMBL29638414 0.88 TYK2 (0.35) TYK2GAAMAPT
SCHEMBL29638472 0.87 POLB (0.39) TYK2MAPT
SCHEMBL29638437 0.87 HPGD (0.40) TYK2KDM4EGAAMAPTSMN1; SMN2
SCHEMBL29638464 0.86 NPC1 (0.41) TYK2GAAMAPT
SCHEMBL24557258 0.86 NPC1 (0.41) TYK2GAAMAPT
SCHEMBL24557251 0.84 JAK2 (0.37) MAP3K12TYK2MAPT
SCHEMBL29638473 0.84 TYK2 (0.40) TYK2KDM4E

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