SCHEMBL8620732

SCHEMBL8620732

COc1cc2nc(F)nc(Nc3ccc(OCc4ccccn4)cc3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.57
ERBB2 P04626 2/20 0.57
ERBB4 Q15303 2/20 0.57
ATM Q13315 1/20 0.48
RIPK2 O43353 1/20 0.48
EPHB2 P29323 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
KDR P35968 3/20 0.47
LCK P06239 3/20 0.47
SLC2A1 P11166 1/20 0.46
RET P07949 1/20 0.46
SYK P43405 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL8619879 0.84 EGFR (0.55) EGFRERBB2ERBB4IRAK4LCK
SCHEMBL8614884 0.84 EGFR (0.47) EGFRERBB2ERBB4IRAK4LCK
SCHEMBL27939614 0.81 EGFR (0.63) EGFRKDRLCKSLC2A1RET
SCHEMBL8620302 0.81 ALDH1A1 (0.52) EGFRABCG2
SCHEMBL8427361 0.78 CYP3A4 (0.60) EGFRERBB2ERBB4
SCHEMBL8308821 0.76 EGFR (0.80) EGFRERBB2ERBB4ATMRIPK2
Hydrochloric Acid SCHEMBL8808126 0.75 EGFR (0.58) EGFRERBB2ERBB4RIPK2EPHB2
SCHEMBL8616544 0.74 EGFR (0.58) EGFRERBB2
SCHEMBL8306919 0.74 KDR (0.65) EGFRERBB2ERBB4EPHB2KDR
SCHEMBL6187027 0.73 EGFR (0.77) EGFRERBB2KDR

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