SCHEMBL21787073

SCHEMBL21787073

Nc1ccc(Br)cc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.58
METAP2 P50579 2/20 0.58
DYRK1A Q13627 2/20 0.58
EIF2AK2 P19525 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP2D6 P10635 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
KDM4E B2RXH2 6/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL8543979 0.80 EIF2AK2 (0.50) DYRK1AEIF2AK2ALDH1A1HSD17B10CYP1A2
SCHEMBL29364542 0.75 NOS1 (1.00) NOS1METAP2DYRK1AALDH1A1HSD17B10
SCHEMBL5902 0.75 NOS1 (1.00) NOS1METAP2DYRK1AALDH1A1HSD17B10
Hydrazine SCHEMBL16698268 0.74 NOS1 (0.89) NOS1METAP2DYRK1AALDH1A1HSD17B10
SCHEMBL19781514 0.72 AHR (0.56) MAPTRAB9ANPC1EGFRKDR
SCHEMBL29898312 0.72 AHR (0.56) MAPTRAB9ANPC1EGFRKDR
SCHEMBL21786678 0.71 KMT2A (0.47) NOS1DYRK1AEIF2AK2ALDH1A1HSD17B10
SCHEMBL29568396 0.70 RAB9A (0.59) DYRK1AEIF2AK2ALDH1A1HSD17B10CYP1A2
SCHEMBL20475759 0.70 KDM4E (0.66) DYRK1AEIF2AK2ALDH1A1HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL2083483 0.70 ALDH1A1 (0.60) NOS1METAP2DYRK1AEIF2AK2ALDH1A1

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
WO-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 WO disclosed