SCHEMBL9387149

SCHEMBL9387149

Cc1c(-c2ccccc2)[nH]c2ncc(Br)cc12.Cc1c2cc(Br)cn(CC(=O)c3ccccc3)c-2nc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 16/20 0.38
CYP3A4 P08684 3/20 0.37
MTNR1A P48039 1/20 0.35
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKCG P05129 1/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34
FES P07332 1/20 0.34
IGF1R P08069 1/20 0.34
ROS1 P08922 1/20 0.34
FGFR1 P11362 1/20 0.34
PHKG2 P15735 1/20 0.34
FER P16591 1/20 0.34
FLT1 P17948 1/20 0.34
CDK2 P24941 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
SCHEMBL8327565 0.85 KMT2A (0.41) PTGFRMKNK2MEN1KMT2A
SCHEMBL1780572 0.74 DYRK1B (0.52) MTNR1APLK4AURKAJAK2ROCK2
SCHEMBL8331450 0.73 KMT2A (0.44) MKNK2MEN1KMT2A
SCHEMBL8328480 0.68 MEN1 (0.42) CYP3A4KDRMEN1KMT2APTGES
SCHEMBL8327249 0.68 GSK3B (0.42) MEN1KMT2A
SCHEMBL8326687 0.64 SRC (0.46) KDRMEN1KMT2A
SCHEMBL6249745 0.63 DYRK1B (0.50) MTNR1APLK4AURKAJAK2ROCK2
SCHEMBL6246112 0.62 DYRK1B (0.56) PLK4AURKAJAK2ROCK2PRKD3
SCHEMBL8327343 0.62 ALDH1A1 (0.46)
SCHEMBL6247571 0.62 DYRK1A (0.49) MTNR1APLK4AURKAJAK2ROCK2

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
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed