SCHEMBL23538181

SCHEMBL23538181

C=CC(=O)N1CCC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)n5)c(Cl)c4)c3n2)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.56
ERBB2 P04626 3/20 0.50

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
SCHEMBL23538180 1.00 EGFR (0.56) EGFRERBB2
SCHEMBL23537955 0.96 EGFR (0.59) EGFRERBB2
SCHEMBL23537942 0.91 EGFR (0.67) EGFRERBB2
SCHEMBL23537941 0.91 EGFR (0.67) EGFRERBB2
SCHEMBL23537577 0.90 EGFR (0.57) EGFRERBB2
SCHEMBL23537574 0.90 EGFR (0.57) EGFRERBB2
SCHEMBL23537790 0.89 EGFR (0.70) EGFRERBB2
SCHEMBL23537792 0.89 EGFR (0.70) EGFRERBB2
SCHEMBL23537607 0.88 EGFR (0.65) EGFRERBB2
SCHEMBL23537650 0.88 EGFR (0.56) EGFRERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed