SCHEMBL29545545

SCHEMBL29545545

COc1c(F)cccc1Nc1c(-c2ccncc2NC(=O)C(C)(C)C)nn2c1C(=O)NCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.45
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TYK2 P29597 1/20 0.34
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL29545632 0.94 EGFR (0.46) EGFRCCNT1CDK9TYK2
SCHEMBL29544687 0.94 EGFR (0.43) EGFRCCNT1CDK9TYK2
SCHEMBL29544404 0.89 EGFR (0.43) EGFRCCNT1CDK9TYK2CCNE2
SCHEMBL29544823 0.89 EGFR (0.46) EGFRTYK2
SCHEMBL29544947 0.89 TYK2 (0.45) EGFRTYK2
SCHEMBL29545007 0.88 EGFR (0.47) EGFR
SCHEMBL29544795 0.88 EGFR (0.48) EGFRTYK2
SCHEMBL29544462 0.87 TYK2 (0.42) EGFRTYK2
SCHEMBL29544852 0.87 EGFR (0.49) EGFR
SCHEMBL29544860 0.87 EGFR (0.49) EGFR

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