SCHEMBL29544404

SCHEMBL29544404

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.43
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
CCNT1 O60563 1/20 0.33
CDK9 P50750 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
SCHEMBL29544687 0.89 EGFR (0.43) EGFRTYK2CCNT1CDK9
SCHEMBL29545545 0.89 EGFR (0.45) EGFRTYK2CCNE2CDK4CCND1
SCHEMBL29544823 0.89 EGFR (0.46) EGFRTYK2
SCHEMBL29544947 0.89 TYK2 (0.45) EGFRTYK2
SCHEMBL29545632 0.88 EGFR (0.46) EGFRTYK2CCNT1CDK9
SCHEMBL29544462 0.87 TYK2 (0.42) EGFRTYK2
SCHEMBL29544860 0.87 EGFR (0.49) EGFR
SCHEMBL29544852 0.87 EGFR (0.49) EGFR
SCHEMBL29545225 0.86 EGFR (0.47) EGFRTYK2CCNT1CDK9
SCHEMBL29544775 0.85 EGFR (0.47) 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