SCHEMBL20003731

SCHEMBL20003731

C#Cc1ccnc2cc(Br)ncc12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35

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
SCHEMBL20651374 0.77 ALK (0.46) EGFR
SCHEMBL27977187 0.74 SLC22A12 (0.45) EGFR
SCHEMBL20003749 0.73 CCR1 (0.42) EGFR
SCHEMBL18256873 0.73 NR4A2 (0.38) EGFR
SCHEMBL736202 0.68 NCF1 (0.50)
SCHEMBL30098629 0.68 NCF1 (0.50)
SCHEMBL18442600 0.64 CYP1A2 (0.31) EGFR
SCHEMBL29562545 0.63
SCHEMBL5700328 0.63
SCHEMBL26634008 0.63 PGK1 (0.41)

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-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed