SCHEMBL18633107

SCHEMBL18633107

CN1CCC2(CC1)CC(COc1cc(/N=C\N)c(CNc3ccc(F)c(Cl)c3)cc1[N+](=O)[O-])CO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.46
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ ERBB4 Q15303 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALDH3A1 P30838 1/20 0.31
▸ MAP3K8 P41279 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18632986 0.84 EGFR (0.64) EGFRERBB4
SCHEMBL15090597 0.76 EGFR (0.71) EGFR
SCHEMBL18632974 0.75 EGFR (0.45) EGFRMAPTALDH1A1ERBB4
SCHEMBL18633117 0.70 ERBB4 (0.51) EGFRERBB4
SCHEMBL18633103 0.68 EGFR (0.42) EGFR
SCHEMBL15090717 0.66 EGFR (0.73) EGFRMAPTERBB4
SCHEMBL18632975 0.66 EGFR (0.52) EGFRERBB4MAP3K8
SCHEMBL18633152 0.66 MAPT (0.58) EGFRMAPTALDH1A1POLBGAA
SCHEMBL15090622 0.66 EGFR (0.70) EGFR
SCHEMBL15090694 0.66 EGFR (0.59) EGFR

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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