SCHEMBL2824946

SCHEMBL2824946

COc1ccc(Nc2cncc(-c3cccc(C(=O)c4ccccn4)c3N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
RAB9A P51151 6/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 4/20 0.47
PKM P14618 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CCR9 P51686 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
GRM4 Q14833 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 1/20 0.41
PDPK1 O15530 1/20 0.41
HPGD P15428 1/20 0.40
CDK5 Q00535 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL2820201 0.86 XDH (0.47) XDHSLC22A12RAB9AMAPTNPC1
SCHEMBL2822421 0.85 XDH (0.50) XDHSLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL2819012 0.85 MAPK13 (0.51) XDHSLC22A12RAB9AMAPTNPC1
SCHEMBL2818647 0.84 XDH (0.48) XDHSLC22A12RAB9APKMSMN1; SMN2
SCHEMBL2822721 0.81 XDH (0.52) XDHSLC22A12RAB9ANPC1ALDH1A1
SCHEMBL2824998 0.81 XDH (0.48) XDHSLC22A12RAB9AMAPTNPC1
SCHEMBL2819006 0.81 XDH (0.48) XDHSLC22A12RAB9AMAPTNPC1
SCHEMBL2819678 0.79 MAPT (0.62) XDHSLC22A12RAB9AMAPTNPC1
SCHEMBL2822765 0.70 KMT2A (0.51) XDHSLC22A12RAB9AMAPTNPC1
SCHEMBL2822564 0.70 XDH (0.50) XDHSLC22A12RAB9ANPC1NPSR1

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
EP-1789044-B1 PHENYLAMINOPYRIDINES AND PHENYLAMINOPYRAZINES BASILEA PHARMACEUTICA AG (CH) 2010-10-27 EP claimed