SCHEMBL27959619

SCHEMBL27959619

O=C(O)n1cc(-c2cn(Cc3ccc(Cl)cc3)nn2)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
PTGS2 P35354 1/20 0.42
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 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
SCHEMBL27850091 0.92 CCNK (0.49) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL719178 0.86 KDM1A (0.45) PTGDR2MEN1CASP3KMT2ASENP8
SCHEMBL718773 0.80 CCNK (0.44) PTGDR2MEN1CASP3KMT2ASENP8
SCHEMBL28034732 0.79 CYP19A1 (0.50) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL294699 0.78 KDM1A (0.40) PTGDR2MEN1CASP3KMT2ASENP8
SCHEMBL27924063 0.77 KDM4A (0.47) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL285629 0.73 CCNE1 (0.65) CCNKCDK12KDRTEKCDK2
SCHEMBL285634 0.71 CCNK (0.42) PTGDR2MEN1CASP3KMT2ASENP8
SCHEMBL27818284 0.69 NR1I3 (0.50) CCNKCDK12PTGS2NOTUMKDR
SCHEMBL17336919 0.68 NOTUM (0.58) MEN1CASP3KMT2ASENP8SENP7

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
CN-102414211-B 3- ([1,2,3] triazol-4-yl) pyrrolo [2,3-b ] pyridine derivatives MERCK PATENT GMBH 2014-06-04 CN disclosed