SCHEMBL21761244

SCHEMBL21761244

O=CNc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.63
▸ ERBB2 P04626 7/20 0.63
▸ KDR P35968 3/20 0.59
▸ EPHB4 P54760 3/20 0.59
▸ EPHA2 P29317 2/20 0.59
▸ FBP1 P09467 2/20 0.57
▸ ERBB4 Q15303 1/20 0.57
▸ AURKA O14965 1/20 0.56
▸ INSR P06213 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ FLT4 P35916 1/20 0.56
▸ CLK1 P49759 1/20 0.56
▸ TEK Q02763 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ ERBB3 P21860 1/20 0.56
▸ DUS2 Q9NX74 1/20 0.56

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
SCHEMBL21761372 0.88 EGFR (0.69) EGFRERBB2KDREPHB4FBP1
SCHEMBL18632967 0.87 FBP1 (0.76) EGFRERBB2KDREPHB4FBP1
SCHEMBL18862875 0.87 EGFR (0.75) EGFRERBB2KDREPHB4FBP1
SCHEMBL19125553 0.86 EGFR (0.63) EGFRERBB2KDREPHB4FBP1
SCHEMBL18862743 0.86 EGFR (0.79) EGFRERBB2KDREPHB4EPHA2
SCHEMBL21761309 0.85 EGFR (0.66) EGFRERBB2KDREPHB4EPHA2
SCHEMBL1190546 0.84 EGFR (0.68) EGFRERBB2KDREPHB4EPHA2
SCHEMBL6989211 0.84 EGFR (0.68) EGFRERBB2KDREPHB4EPHA2
SCHEMBL1418419 0.84 EGFR (0.74) EGFRERBB2ERBB4ERBB3DUS2
SCHEMBL1418417 0.84 EGFR (0.74) EGFRERBB2ERBB4ERBB3DUS2

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-3022186-B1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2020-02-26 — — EP disclosed
Send feedback