SCHEMBL8001471

SCHEMBL8001471

CCc1nc(-c2ccc(N/C(=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)c3ccccc3)cc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GSK3B P49841 4/20 0.37
CAPN9 O14815 1/20 0.36
CASP3 P42574 1/20 0.36
TGM2 P21980 1/20 0.36
HPGD P15428 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 1/20 0.36
PDE4D Q08499 1/20 0.36
RET P07949 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDGFRB P09619 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL8001474 1.00 EGFR (0.40) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8010512 0.94 MEN1 (0.40) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8010518 0.94 MEN1 (0.40) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8001470 0.93 EGFR (0.39) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8001473 0.93 EGFR (0.39) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8517195 0.92 MEN1 (0.39) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8517196 0.92 MEN1 (0.39) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8012722 0.92 MEN1 (0.38) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8012720 0.92 MEN1 (0.38) EGFRMEN1KMT2AGSK3BCAPN9
SCHEMBL8012362 0.91 EGFR (0.38) EGFRMEN1KMT2AGSK3BCAPN9

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
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 WO disclosed