SCHEMBL29638402

SCHEMBL29638402

COc1cc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)ccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.41
SRC P12931 10/20 0.41
LYN P07948 7/20 0.41
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK2 O60674 2/20 0.37
PDE4D Q08499 2/20 0.37
MAT2A P31153 1/20 0.37

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
SCHEMBL24557294 1.00 BTK (0.41) BTKSRCLYNJAK1TYK2
SCHEMBL29638480 0.86 BTK (0.45) BTKSRCLYNJAK1TYK2
SCHEMBL24557272 0.86 BTK (0.45) BTKSRCLYNJAK1TYK2
SCHEMBL29638448 0.85 JAK1 (0.41) BTKSRCLYNJAK1TYK2
SCHEMBL29638467 0.83 BTK (0.41) BTKSRCLYNJAK1TYK2
SCHEMBL27199225 0.83 BTK (0.41) BTKSRCLYNJAK1TYK2
SCHEMBL24557274 0.82 BTK (0.46) BTKSRCLYNJAK1TYK2
SCHEMBL29638409 0.82 BTK (0.46) BTKSRCLYNJAK1TYK2
SCHEMBL24557292 0.82 TYK2 (0.36) BTKSRCLYNJAK1TYK2
SCHEMBL29638445 0.82 TYK2 (0.36) BTKSRCLYNJAK1TYK2

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