SCHEMBL29544795

SCHEMBL29544795

COc1c(F)cccc1Nc1c(-c2ccncc2NCC(C)(C)C)nn2c1C(=O)NCC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.48
ROCK2 O75116 1/20 0.33
TYK2 P29597 1/20 0.32

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
SCHEMBL29545007 0.94 EGFR (0.47) EGFR
SCHEMBL29544784 0.90 EGFR (0.51) EGFR
SCHEMBL29544860 0.89 EGFR (0.49) EGFRROCK2
SCHEMBL29544852 0.89 EGFR (0.49) EGFRROCK2
SCHEMBL29545545 0.88 EGFR (0.45) EGFRTYK2
SCHEMBL29545632 0.86 EGFR (0.46) EGFRTYK2
SCHEMBL29544775 0.86 EGFR (0.47) EGFRROCK2
SCHEMBL29545225 0.86 EGFR (0.47) EGFRROCK2TYK2
SCHEMBL29544687 0.86 EGFR (0.43) EGFRTYK2
SCHEMBL29544823 0.85 EGFR (0.46) EGFRTYK2

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