SCHEMBL27939486

SCHEMBL27939486

COc1ccc(Cn2cc(-c3ccccn3)nn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP19A1 P11511 3/20 0.59
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
CCNK O75909 1/20 0.55
CDK12 Q9NYV4 1/20 0.55
PTGS2 P35354 1/20 0.53
KDR P35968 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
NR1I3 Q14994 1/20 0.49
OPRK1 P41145 1/20 0.49
SNCA P37840 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL2190292 0.86 CYP19A1 (0.66) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL28330051 0.82 MEN1 (0.77) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL23291452 0.80 L3MBTL1 (0.49) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL31211590 0.80 L3MBTL1 (0.49) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL1805271 0.80 CCNK (0.56) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL2506847 0.79 MEN1 (0.57) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL17084397 0.79 MEN1 (0.77) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL19026569 0.78 MEN1 (0.71) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL2192371 0.78 FLT3 (0.72) PTGS2KDR
SCHEMBL16620124 0.77 HSP90AB1 (0.61) MEN1KMT2ANPC1RAB9ACYP19A1

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
CN-103619170-B Spleen tyrosine kinase (SYK) inhibitor containing amino-pyridine 默沙东公司 2016-07-06 CN disclosed
CN-103619170-A Amino-pyridine-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME 2014-03-05 CN disclosed