SCHEMBL18862756

SCHEMBL18862756

Cc1cc(Nc2ncnc3cc(OCC4CC45CCN(C)CC5)c(NC=O)cc23)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.58
▸ ERBB4 Q15303 3/20 0.45
▸ RET P07949 1/20 0.45
▸ KDR P35968 3/20 0.44
▸ EPHA2 P29317 2/20 0.44
▸ EPHB4 P54760 2/20 0.44
▸ ERBB2 P04626 2/20 0.43
▸ GAK O14976 1/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43

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
SCHEMBL18862908 0.92 EGFR (0.68) EGFRERBB4KDREPHA2EPHB4
SCHEMBL18862743 0.81 EGFR (0.79) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL21761246 0.80 EGFR (0.58) EGFRERBB4RETKDREPHB4
SCHEMBL15090536 0.80 EGFR (0.87) EGFRERBB4RETKDREPHB4
SCHEMBL18633092 0.79 EGFR (0.81) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL15106807 0.79 EGFR (0.62) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL18595943 0.77 EGFR (0.76) EGFRERBB4ERBB2GAKRIPK2
SCHEMBL15090803 0.77 EGFR (0.61) EGFRKDREPHA2EPHB4
SCHEMBL15090494 0.76 EGFR (0.81) EGFRERBB4RETKDREPHB4
SCHEMBL15781132 0.76 EGFR (0.67) EGFRERBB4ERBB2GAKRIPK2

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-2716633-B1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF XUANZHU PHARMA CO LTD (CN) 2017-05-17 — — EP disclosed
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