SCHEMBL31472871

SCHEMBL31472871

O=[N+]([O-])c1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.58
RIPK2 O43353 1/20 0.58
EPHB2 P29323 1/20 0.58
KDR P35968 1/20 0.57
TEK Q02763 1/20 0.57
ERBB2 P04626 2/20 0.52
ERBB4 Q15303 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TTBK1 Q5TCY1 2/20 0.48
TTBK2 Q6IQ55 2/20 0.48
PDGFRB P09619 2/20 0.47
FBP1 P09467 1/20 0.47

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
SCHEMBL15391257 1.00 EGFR (0.58) EGFRRIPK2EPHB2KDRTEK
SCHEMBL15390968 0.93 EGFR (0.52) EGFRRIPK2EPHB2KDRTEK
SCHEMBL26321 0.90 EGFR (0.64) EGFRKDRERBB2ABCG2HTT
SCHEMBL22983813 0.88 ABCG2 (0.61) EGFRRIPK2EPHB2KDRTEK
SCHEMBL23406723 0.87 EGFR (0.51) EGFRRIPK2EPHB2ERBB2ABCG2
SCHEMBL21835395 0.87 EGFR (0.55) EGFRRIPK2EPHB2KDRTEK
SCHEMBL15391673 0.85 EGFR (0.74) EGFRRIPK2EPHB2KDRTEK
SCHEMBL160194 0.85 ABCG2 (0.54) EGFRABCG2FBP1
SCHEMBL30638113 0.85 ABCG2 (0.54) EGFRABCG2FBP1
SCHEMBL15390935 0.84 FBP1 (0.68) EGFRRIPK2EPHB2KDRTEK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079960-A Alkynyl quinazoline compounds 2026-05-26 CN disclosed
CN-119390683-A Alkynyl quinazoline compounds 黑钻治疗公司 2025-02-07 CN disclosed