SCHEMBL7529433

SCHEMBL7529433

CC(=O)NC(Nc1ncnc2cc(Cl)c([N+](=O)[O-])cc12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.51
PDGFRB P09619 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
KRAS P01116 1/20 0.40
SOS1 Q07889 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7473900 0.85 EGFR (0.56) EGFRPDGFRBMAPTLMNAABCG2
SCHEMBL7536684 0.81 SMN1; SMN2 (0.42) EGFRPDGFRBMAPTLMNAMEN1
SCHEMBL7460996 0.81 EGFR (0.48) EGFRPDGFRBMAPTLMNAKDM4E
SCHEMBL7470644 0.80 EGFR (0.53) EGFRPDGFRBABCG2KRASSOS1
SCHEMBL7460872 0.78 EGFR (0.47) EGFRPDGFRBMAPTLMNAMEN1
SCHEMBL7474113 0.78 EGFR (0.55) EGFRPDGFRBMAPTLMNAKDM4E
SCHEMBL7472380 0.78 EGFR (0.53) EGFRPDGFRBMAPTMEN1HTT
SCHEMBL7475452 0.77 EGFR (0.52) EGFRPDGFRBABCG2KRASSOS1
SCHEMBL7465511 0.76 EGFR (0.48) EGFRPDGFRBKDM4EALDH1A1ABCG2
SCHEMBL7466558 0.75 EGFR (0.46) EGFRPDGFRBABCG2KRASSOS1

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