SCHEMBL29544607

SCHEMBL29544607

COc1c(F)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@H]2C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.37
TYK2 P29597 10/20 0.33
ROCK2 O75116 3/20 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
SCHEMBL29544488 1.00 EGFR (0.37) EGFRTYK2ROCK2
SCHEMBL29545127 0.91 TYK2 (0.32) TYK2
SCHEMBL29544930 0.91 TYK2 (0.32) TYK2
SCHEMBL29544694 0.90 EGFR (0.38) EGFRTYK2
SCHEMBL29544658 0.90 EGFR (0.38) EGFRTYK2
SCHEMBL29544598 0.90 EGFR (0.38) EGFRTYK2
SCHEMBL29544703 0.87 EGFR (0.38) EGFRTYK2ROCK2
SCHEMBL29545012 0.85 EGFR (0.41) EGFRTYK2ROCK2
SCHEMBL29544718 0.79 TYK2 (0.32) TYK2
SCHEMBL29544722 0.78 TYK2 (0.40) EGFRTYK2ROCK2

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