SCHEMBL29544730

SCHEMBL29544730

COc1c(Cl)cccc1Nc1c(-c2ccncc2F)nn2c1C(=O)NCC2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.42
TYK2 P29597 3/20 0.36
BUB1 O43683 1/20 0.34

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
SCHEMBL29544860 0.92 EGFR (0.49) EGFRBUB1
SCHEMBL29544852 0.92 EGFR (0.49) EGFRBUB1
SCHEMBL29544819 0.89 EGFR (0.37) EGFRTYK2
SCHEMBL29544599 0.88 EGFR (0.36) EGFRTYK2
SCHEMBL29544972 0.87 EGFR (0.37) EGFRTYK2
SCHEMBL29544491 0.86 BUB1 (0.38) EGFRTYK2BUB1
SCHEMBL29544371 0.86 EGFR (0.41) EGFRTYK2
SCHEMBL29544908 0.86 EGFR (0.52) EGFRBUB1
SCHEMBL29544775 0.85 EGFR (0.47) EGFR
SCHEMBL29545225 0.85 EGFR (0.47) 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