SCHEMBL5232302

SCHEMBL5232302

CCc1cccc(-c2nn3ccccc3c2C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MIF P14174 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA1 P30542 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA2A P29274 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL5231391 0.86 EGFR (0.53) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL4864274 0.84 MIF (0.45) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL5233087 0.80 TGFBR1 (0.45) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL5231551 0.77 BRD4 (0.44) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL4871867 0.76 TGFBR1 (0.53) EGFRADORA1ADORA2ATGFBR1CCNE1
SCHEMBL2035471 0.74 EGFR (0.48) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL9199217 0.74 EGFR (0.60) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL4868403 0.74 MAPK14 (0.56) EGFRADORA1ADORA2ATGFBR1CCNE1
SCHEMBL4865701 0.74 EGFR (0.55) EGFRMEN1KMT2AMIFALDH1A1
SCHEMBL16296917 0.74 TGFBR1 (0.49) TGFBR1

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-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed