SCHEMBL29544722

SCHEMBL29544722

COc1c(F)cccc1Nc1c(Br)nn2c1C(=O)NC[C@@H]2C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 17/20 0.40
EGFR P00533 2/20 0.38
ROCK2 O75116 1/20 0.35

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
SCHEMBL29544877 0.89 TYK2 (0.40) TYK2
SCHEMBL29544640 0.81 EGFR (0.42) TYK2EGFRROCK2
SCHEMBL29544703 0.79 EGFR (0.38) TYK2EGFRROCK2
SCHEMBL29544607 0.78 EGFR (0.37) TYK2EGFRROCK2
SCHEMBL29544488 0.78 EGFR (0.37) TYK2EGFRROCK2
SCHEMBL24422451 0.69 EGFR (0.38) TYK2EGFRROCK2
SCHEMBL24422461 0.69 EGFR (0.38) TYK2EGFRROCK2
SCHEMBL24422448 0.69 EGFR (0.38) TYK2EGFRROCK2
SCHEMBL24422458 0.69 EGFR (0.38) TYK2EGFRROCK2
SCHEMBL29544373 0.69 TYK2 (0.41) TYK2

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed