SCHEMBL29545012

SCHEMBL29545012

COc1c(F)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NCC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.41
TYK2 P29597 7/20 0.33
ROCK2 O75116 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL29544606 0.92 EGFR (0.42) EGFR
SCHEMBL29545365 0.91 TYK2 (0.33) EGFRTYK2CCNT1CDK9
SCHEMBL29544736 0.88 EGFR (0.40) EGFRTYK2CCNT1CDK9
SCHEMBL29544418 0.87 EGFR (0.39) EGFRTYK2CCNT1CDK9
SCHEMBL29545140 0.87 EGFR (0.42) EGFRTYK2ROCK2
SCHEMBL29544488 0.85 EGFR (0.37) EGFRTYK2ROCK2
SCHEMBL29544607 0.85 EGFR (0.37) EGFRTYK2ROCK2
SCHEMBL29544468 0.84 EGFR (0.41) EGFRTYK2ROCK2CCNT1CDK9
SCHEMBL29544860 0.83 EGFR (0.49) EGFRROCK2
SCHEMBL29544852 0.83 EGFR (0.49) EGFRROCK2

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