SCHEMBL18633112

SCHEMBL18633112

CN1CCC2(CC2COc2cc3c(cc2[N+](=O)[O-])C(Nc2ccc(F)c(CI)c2)=NCN3)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERBB4 Q15303 1/20 0.32
▸ EGFR P00533 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
SCHEMBL18633103 0.85 EGFR (0.42) EGFR
SCHEMBL18633146 0.81 EGFR (0.46) EGFR
SCHEMBL18633114 0.77 CA1 (0.33) —
SCHEMBL18633116 0.76 ERBB4 (0.57) ERBB4EGFR
SCHEMBL15090640 0.71 EGFR (0.56) EGFR
SCHEMBL15090803 0.66 EGFR (0.61) EGFR
SCHEMBL18633151 0.64 EGFR (0.58) EGFR
SCHEMBL18632975 0.64 EGFR (0.52) ERBB4EGFR
SCHEMBL18633111 0.60 EGFR (0.57) EGFR
SCHEMBL15090653 0.60 EGFR (0.71) ERBB4EGFR

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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