SCHEMBL28102456

SCHEMBL28102456

N=C(N)c1cnc(C(=O)c2ccccc2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
PBRM1 Q86U86 1/20 0.44
BLM P54132 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
C1S P09871 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
PLG P00747 1/20 0.41
CATSPER1 Q8NEC5 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
SCHEMBL28102587 0.82 PRSS1 (0.51) HPGDPRSS1PRSS2PRSS3KMT2A
SCHEMBL305751 0.78 GLA (0.51) PBRM1GLAHPGDKMT2AMAPT
SCHEMBL28102448 0.73 PBRM1 (0.44) F2F10F12F7F3
SCHEMBL11750033 0.72 PBRM1 (0.50) PBRM1KMT2AMAPTGAAPOLB
SCHEMBL674194 0.70 MAPT (0.53) PBRM1BLMKMT2AMAPTGAA
SCHEMBL30821243 0.70 MAPT (0.53) PBRM1BLMKMT2AMAPTGAA
Benzamidine SCHEMBL2781806 0.68 F2 (0.84) F2F10F12F7F3
SCHEMBL19857474 0.68 ALDH1A1 (0.48) HPGDKMT2APOLBHSD17B10ALDH1A1
SCHEMBL28226892 0.68 ALDH1A1 (0.58) PBRM1GLAKMT2AMAPTGAA
SCHEMBL6791689 0.67 PBRM1 (0.51) F2F10F12F7F3

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-102933578-B Cyano-quinoline derivatives 天津和美生物技术有限公司 2016-09-07 CN disclosed