SCHEMBL9045874

SCHEMBL9045874

Clc1cc(Nc2cccc(Br)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.52
GAK O14976 1/20 0.45
TNF P01375 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
GRM4 Q14833 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
FBP1 P09467 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL11046526 0.83 SMARCA2 (0.66) EGFRKDR
SCHEMBL3946380 0.82 HTR3E (0.55) EGFRTNFGRM4KDR
SCHEMBL1415496 0.82 ALDH1A1 (0.52) GRM4
SCHEMBL8873583 0.79 EGFR (0.52) EGFRGAKTNFABCG2RAPGEF4
SCHEMBL27996985 0.79 EGFR (0.52) EGFRGAKTNF
SCHEMBL20748625 0.79 KDM4E (0.56) EGFRGRM4RAPGEF4
SCHEMBL29961149 0.79 RAPGEF4 (0.61) EGFRABCG2RAPGEF4KDR
SCHEMBL29961547 0.79 RAPGEF4 (0.61) EGFRABCG2RAPGEF4KDR
SCHEMBL1687027 0.79 RAPGEF4 (0.61) EGFRABCG2RAPGEF4KDR
SCHEMBL8470618 0.78 EGFR (0.51) EGFRABCG2RAPGEF4KDR

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
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed