SCHEMBL29544647

SCHEMBL29544647

C=CC(=O)Nc1cc2c(-c3nn4c(c3Nc3cccc(F)c3OC)C(=O)NCC4)ccnc2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.40
ERBB3 P21860 1/20 0.40
DUS2 Q9NX74 1/20 0.40
ERBB2 P04626 1/20 0.40
FGFR1 P11362 1/20 0.38
BTK Q06187 3/20 0.37
ERBB4 Q15303 1/20 0.37
KDR P35968 4/20 0.36
IGF1R P08069 1/20 0.36
KCNH2 Q12809 1/20 0.36
ITK Q08881 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL29544750 0.92 EGFR (0.40) EGFRERBB3DUS2ERBB2FGFR1
SCHEMBL29544843 0.90 FGFR1 (0.38) EGFRERBB2FGFR1BTKITK
SCHEMBL29544572 0.89 EGFR (0.40) EGFR
SCHEMBL29544700 0.87 EGFR (0.40) EGFR
SCHEMBL29544798 0.84 EGFR (0.38) EGFRKDR
SCHEMBL29544580 0.83 TYK2 (0.37) EGFRERBB2FGFR1FGFR4
SCHEMBL29544468 0.82 EGFR (0.41) EGFR
SCHEMBL29544758 0.81 EGFR (0.39) EGFR
SCHEMBL29544955 0.80 EGFR (0.39) EGFRKDR
SCHEMBL29545142 0.80 CSF1R (0.39) EGFRKDR

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