SCHEMBL18633146

SCHEMBL18633146

CN1CCC2(CC2COc2cc3ncnc(Nc4ccc(F)c(CI)c4)c3cc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.46
▸ FBP1 P09467 1/20 0.43
▸ EPHA2 P29317 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ EPHB4 P54760 1/20 0.41

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
SCHEMBL15090640 0.90 EGFR (0.56) EGFREPHA2KDREPHB4
SCHEMBL15090803 0.86 EGFR (0.61) EGFRFBP1EPHA2KDREPHB4
SCHEMBL18633151 0.83 EGFR (0.58) EGFRFBP1KDR
SCHEMBL18633112 0.81 ERBB4 (0.32) EGFR
SCHEMBL18862789 0.79 EGFR (0.63) EGFRFBP1KDREPHB4
SCHEMBL15090653 0.79 EGFR (0.71) EGFR
SCHEMBL18633111 0.78 EGFR (0.57) EGFRFBP1
SCHEMBL15106854 0.78 EGFR (0.58) EGFRFBP1EPHA2KDREPHB4
SCHEMBL15090622 0.77 EGFR (0.70) EGFRFBP1EPHA2KDREPHB4
SCHEMBL14388259 0.76 EIF2AK2 (0.44) EGFRFBP1

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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