SCHEMBL28683183

SCHEMBL28683183

Cc1ccc(-c2cc(C(=O)Nc3ncc(-c4ccco4)[nH]3)c3ccccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ PAK4 O96013 1/20 0.58
▸ NTRK1 P04629 1/20 0.58
▸ RET P07949 1/20 0.58
▸ MET P08581 1/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ FGFR1 P11362 1/20 0.58
▸ PDGFRA P16234 1/20 0.58
▸ FLT1 P17948 1/20 0.58
▸ LTK P29376 1/20 0.58
▸ GRK5 P34947 1/20 0.58
▸ MAP2K2 P36507 1/20 0.58
▸ CSNK1A1 P48729 1/20 0.58
▸ CDK8 P49336 1/20 0.58
▸ GSK3B P49841 1/20 0.58
▸ CDK7 P50613 1/20 0.58
▸ CDK9 P50750 1/20 0.58

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
SCHEMBL28681436 0.94 STAT3 (0.61) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28695985 0.92 STAT3 (0.55) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28673399 0.91 MEN1 (0.58) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28699068 0.91 STAT3 (0.54) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28673422 0.91 MEN1 (0.59) CYP3A4L3MBTL1STAT3ALDH1A1KDM4E
SCHEMBL28699093 0.90 CTDSP1 (0.62) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28679409 0.89 STAT3 (0.54) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28672562 0.89 CHEK1 (0.60) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28683197 0.88 STAT3 (0.51) CHEK1AURKADAPK3PRKD3PAK4
SCHEMBL28698376 0.87 POLB (0.61) CHEK1AURKADAPK3PRKD3PAK4

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
CN-113747920-A Immune checkpoint inhibitor combination therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-12-03 — — CN disclosed
CN-112703001-A Combination cancer therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-04-23 — — CN disclosed
Send feedback