SCHEMBL5255126

SCHEMBL5255126

CN(CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1)C1CCN(C2CCOC2=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.70
▸ ERBB2 P04626 16/20 0.64
▸ ERBB4 Q15303 4/20 0.59
▸ GAK O14976 2/20 0.59
▸ ABL1 P00519 2/20 0.59
▸ LCK P06239 2/20 0.59
▸ MET P08581 2/20 0.59
▸ PHKG2 P15735 2/20 0.59
▸ BLK P51451 2/20 0.59
▸ IRAK1 P51617 2/20 0.59
▸ DYRK1A Q13627 2/20 0.59
▸ HIPK4 Q8NE63 2/20 0.59
▸ EPHA6 Q9UF33 2/20 0.59
▸ CIT O14578 1/20 0.59
▸ EPHB6 O15197 1/20 0.59
▸ RIPK2 O43353 1/20 0.59
▸ STK10 O94804 1/20 0.59
▸ LYN P07948 1/20 0.59
▸ RET P07949 1/20 0.59
▸ CHRM2 P08172 1/20 0.59

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
SCHEMBL7230079 0.90 EGFR (0.63) EGFRERBB2ERBB4GAKABL1
SCHEMBL1418196 0.89 EGFR (0.70) EGFRERBB2ERBB4GAKABL1
SCHEMBL1418194 0.89 EGFR (0.70) EGFRERBB2ERBB4GAKABL1
SCHEMBL3585057 0.89 EGFR (0.78) EGFRERBB2ERBB4GAKABL1
SCHEMBL3585054 0.89 EGFR (0.78) EGFRERBB2ERBB4GAKABL1
SCHEMBL1191544 0.89 EGFR (0.87) EGFRERBB2ERBB4GAKABL1
SCHEMBL1191542 0.89 EGFR (0.87) EGFRERBB2ERBB4GAKABL1
SCHEMBL3589219 0.89 EGFR (0.72) EGFRERBB2ERBB4GAKABL1
SCHEMBL3589218 0.89 EGFR (0.72) EGFRERBB2ERBB4GAKABL1
SCHEMBL5255976 0.89 EGFR (0.70) EGFRERBB2ERBB4GAKLCK

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-1280798-B1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2007-01-03 — — EP disclosed
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