SCHEMBL21882884

SCHEMBL21882884

C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cn1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.67
ERBB2 P04626 14/20 0.67
LCK P06239 1/20 0.67
ERBB4 Q15303 4/20 0.60
JAK3 P52333 2/20 0.60
AURKA O14965 1/20 0.57
RPS6KB1 P23443 1/20 0.57

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
SCHEMBL11903094 0.90 EGFR (0.74) EGFRERBB2LCKERBB4JAK3
SCHEMBL11903198 0.90 EGFR (0.74) EGFRERBB2LCKERBB4JAK3
SCHEMBL7236445 0.83 EGFR (0.81) EGFRERBB2LCKERBB4AURKA
SCHEMBL17485154 0.83 EGFR (0.61) EGFRERBB2LCKERBB4JAK3
SCHEMBL11902491 0.82 ERBB2 (0.63) EGFRERBB2LCKERBB4AURKA
SCHEMBL7235104 0.82 EGFR (0.77) EGFRERBB2LCKERBB4AURKA
SCHEMBL30125835 0.82 ERBB2 (0.68) EGFRERBB2LCKERBB4AURKA
SCHEMBL11903417 0.81 EGFR (0.74) EGFRERBB2LCKERBB4JAK3
SCHEMBL11903105 0.81 EGFR (0.74) EGFRERBB2LCKERBB4JAK3
SCHEMBL11903415 0.81 EGFR (0.74) EGFRERBB2LCKERBB4JAK3

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-2020055643-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. (US) 2020-03-19 WO disclosed