SCHEMBL439271

SCHEMBL439271

CCOC(=O)c1cnc2ccc(Br)cc2c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
RXFP1 Q9HBX9 3/20 0.62
GAA P10253 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
AURKB Q96GD4 2/20 0.57
AURKA O14965 1/20 0.55
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
ATM Q13315 2/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL438198 0.87 MAPK1 (0.63) MAPK1GAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL529424 0.86 MAPK1 (0.66) MAPK1RXFP1GAANPSR1ALDH1A1
SCHEMBL437947 0.86 KMT2A (0.53) MAPK1GAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL439008 0.85 NMT2 (0.60) MAPK1GAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL401916 0.85 MAPK1 (0.65) MAPK1RXFP1GAANPSR1ALDH1A1
SCHEMBL437781 0.85 MAPT (0.61) GAANPSR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL441687 0.85 KMT2A (0.62) MAPK1GAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL438203 0.84 MAPT (0.62) GAANPSR1ALDH1A1SMN1; SMN2HTT
SCHEMBL10281891 0.83 HTT (0.49) MAPK1RXFP1GAANPSR1ALDH1A1
SCHEMBL23234973 0.82 MAPK1 (0.76) MAPK1RXFP1GAANPSR1ALDH1A1

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-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 EP disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed