SCHEMBL18632974

SCHEMBL18632974

CN1CCC2(CC1)CC(COc1cc3c(cc1[N+](=O)[O-])C(Nc1ccc(F)c(Cl)c1)NCN3)CO2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.45
▸ ERBB4 Q15303 1/20 0.32
▸ EPHA2 P29317 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ EPHB4 P54760 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL18632984 0.84 EGFR (0.64) EGFRERBB4KDREPHB4
SCHEMBL15090597 0.77 EGFR (0.71) EGFREPHA2KDREPHB4
SCHEMBL18633107 0.75 EGFR (0.46) EGFRERBB4ALDH1A1MAPT
SCHEMBL18633103 0.72 EGFR (0.42) EGFR
SCHEMBL18632975 0.71 EGFR (0.52) EGFRERBB4EPHA2KDREPHB4
SCHEMBL15090622 0.66 EGFR (0.70) EGFREPHA2KDREPHB4
SCHEMBL15090694 0.66 EGFR (0.59) EGFR
SCHEMBL22914712 0.66 KDM4E (0.41) EGFRERBB4ALDH1A1MAPT
SCHEMBL24585190 0.65 MAPT (0.36) EGFRKDREPHB4ALDH1A1MAPT
SCHEMBL15090717 0.65 EGFR (0.73) EGFRERBB4EPHA2KDREPHB4

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-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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