SCHEMBL3815833

SCHEMBL3815833

O=C(Nc1ccccc1)c1cc2ccc(Br)cn2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.68
NPC1 O15118 7/20 0.68
TP53 P04637 9/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 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
SCHEMBL3812681 0.85 RAB9A (0.55) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL3811214 0.79 KDM4E (0.46) RAB9ANPC1MAPTSMN1; SMN2RXFP1
SCHEMBL3813662 0.79 RAB9A (0.69) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL4024253 0.79 PDE2A (0.47) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL1910338 0.73 ALDH1A1 (0.68) RAB9ANPC1TP53SMN1; SMN2NFKB1
SCHEMBL22574406 0.72 NPC1 (0.73) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL3369722 0.71 RAB9A (0.68) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL3817967 0.71 APOBEC3A (0.69) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL3816519 0.69 ALDH1A1 (0.46) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL15238558 0.68 KDM4E (0.59) RAB9ANPC1SMN1; SMN2KDM4EPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP claimed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed