SCHEMBL15428580

SCHEMBL15428580

O=C(Nc1ccccc1)c1cnn2ccc(N(c3cccc(Cl)c3Cl)[SH](=O)=O)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 10/20 0.49
RIPK2 O43353 1/20 0.44
LCK P06239 1/20 0.44
IRAK4 Q9NWZ3 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KLF5 Q13887 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL15428725 0.90 EPHB3 (0.48) EPHB3RIPK2LCKIRAK4NPC1
SCHEMBL15428663 0.88 JAK2 (0.46) EPHB3IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL15428727 0.86 EPHB3 (0.47) EPHB3IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL15428710 0.83 IRAK4 (0.46) EPHB3RIPK2LCKIRAK4NPC1
SCHEMBL15428679 0.83 NPC1 (0.47) EPHB3RIPK2LCKIRAK4NPC1
SCHEMBL15428619 0.82 EPHB3 (0.47) EPHB3IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL15428752 0.81 NPC1 (0.45) EPHB3IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL15428687 0.81 NPC1 (0.45) EPHB3IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL15428622 0.81 TYK2 (0.46) EPHB3IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL15428709 0.80 EPHB3 (0.43) EPHB3RIPK2LCKIRAK4JAK2

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
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed