SCHEMBL8618248

SCHEMBL8618248

CC(=O)Nc1cc(OCc2ccccn2)cc(F)c1Nc1ncnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.52
ERBB2 P04626 6/20 0.52
LCK P06239 1/20 0.52
ERBB4 Q15303 4/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
BRD4 O60885 1/20 0.43
KDR P35968 1/20 0.43
LMNA P02545 1/20 0.43
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STK3 Q13188 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8616965 0.86 ERBB2 (0.48) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8615603 0.82 EGFR (0.43) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8309434 0.79 EGFR (0.66) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8617057 0.79 EGFR (0.56) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8309481 0.75 EGFR (0.50) EGFRERBB2LCKERBB4KDR
SCHEMBL8306485 0.74 EGFR (0.53) EGFRERBB2LCKERBB4KDR
SCHEMBL8616130 0.72 EGFR (0.52) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8614774 0.70 EGFR (0.50) EGFRERBB2LCKERBB4KDR
SCHEMBL8621541 0.69 EGFR (0.55) EGFRERBB2LCKERBB4ABCG2
SCHEMBL8306919 0.69 KDR (0.65) EGFRERBB2ERBB4KDR

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
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed