SCHEMBL29544843

SCHEMBL29544843

C=CC(=O)Nc1cc2c(-c3nn4c(c3Nc3cccc(F)c3OC)C(=O)NCC4)ccnc2cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.38
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38
EGFR P00533 5/20 0.37
TYK2 P29597 10/20 0.37
CD274 Q9NZQ7 1/20 0.37
ERBB2 P04626 3/20 0.36
FGFR3 P22607 1/20 0.35
FGFR4 P22455 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
SCHEMBL29544580 0.93 TYK2 (0.37) FGFR1EGFRTYK2ERBB2FGFR4
SCHEMBL29544647 0.90 EGFR (0.40) FGFR1BTKITKEGFRERBB2
SCHEMBL29544758 0.89 EGFR (0.39) EGFRTYK2CD274
SCHEMBL29544468 0.86 EGFR (0.41) EGFRTYK2
SCHEMBL29544750 0.82 EGFR (0.40) FGFR1BTKEGFRERBB2FGFR3
SCHEMBL29544745 0.82 TYK2 (0.36) TYK2
SCHEMBL29544700 0.82 EGFR (0.40) EGFRTYK2
SCHEMBL29544572 0.81 EGFR (0.40) EGFRTYK2CD274
SCHEMBL29545140 0.79 EGFR (0.42) EGFRTYK2
SCHEMBL29544860 0.78 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