SCHEMBL30930100

SCHEMBL30930100

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-n2c(=O)n(C(C)C)c3cc(F)ccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.54

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
SCHEMBL18585760 1.00 EGFR (0.54) EGFR
SCHEMBL19337048 0.92 EGFR (0.53) EGFR
SCHEMBL18386962 0.91 EGFR (0.49) EGFR
SCHEMBL20357881 0.89 EGFR (0.47) EGFR
SCHEMBL20357973 0.88 TDP1 (0.41) EGFR
SCHEMBL18386920 0.84 EGFR (0.49) EGFR
SCHEMBL19337116 0.84 EGFR (0.50) EGFR
SCHEMBL18586074 0.84 EGFR (0.64) EGFR
SCHEMBL18386768 0.83 EGFR (0.50) EGFR
SCHEMBL30011721 0.83 EGFR (0.48) 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
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 EP disclosed