SCHEMBL29544908

SCHEMBL29544908

COCCOc1cnccc1-c1nn2c(c1Nc1cccc(Cl)c1OC)C(=O)NCC2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.52
BUB1 O43683 4/20 0.42

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
SCHEMBL29544371 0.88 EGFR (0.41) EGFR
SCHEMBL29544774 0.86 EGFR (0.40) EGFR
SCHEMBL29544730 0.86 EGFR (0.42) EGFRBUB1
SCHEMBL29544972 0.84 EGFR (0.37) EGFR
SCHEMBL29544599 0.84 EGFR (0.36) EGFR
SCHEMBL29544819 0.83 EGFR (0.37) EGFR
SCHEMBL29544554 0.82 BRD4 (0.38) EGFRBUB1
SCHEMBL29544491 0.82 BUB1 (0.38) EGFRBUB1
SCHEMBL29544538 0.81 BRD4 (0.40) EGFR
SCHEMBL29544438 0.80 TYK2 (0.36) 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