SCHEMBL7466558

SCHEMBL7466558

C1CC2CC1O2.COC(Nc1ncnc2cc(Cl)c([N+](=O)[O-])cc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
PDGFRB P09619 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
SOS1 Q07889 2/20 0.40
KRAS P01116 1/20 0.40
CNR1 P21554 1/20 0.38
FBP1 P09467 1/20 0.35
ERBB2 P04626 1/20 0.35
FLT1 P17948 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL7463550 0.85 ACHE (0.40) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7465511 0.80 EGFR (0.48) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7475452 0.79 EGFR (0.52) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7473900 0.78 EGFR (0.56) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7474113 0.75 EGFR (0.55) EGFRPDGFRBABCG2FBP1
SCHEMBL7460872 0.75 EGFR (0.47) EGFRPDGFRBABCG2CNR1
SCHEMBL7529433 0.75 EGFR (0.51) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7470644 0.75 EGFR (0.53) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7460996 0.74 EGFR (0.48) EGFRPDGFRBABCG2SOS1KRAS
SCHEMBL7472380 0.73 EGFR (0.53) EGFRPDGFRBABCG2FBP1

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed