SCHEMBL19347393

SCHEMBL19347393

CNC(=O)NCCc1nnn(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MTNR1A P48039 5/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
MTNR1B P49286 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL19347967 0.85 ALDH1A1 (0.40) MTNR1APOLBTSHRMTNR1BSMN1; SMN2
SCHEMBL22455534 0.83 RAB9A (0.48) POLBTSHRSMN1; SMN2TP53RAB9A
SCHEMBL5618142 0.72 TSHR (0.40) POLBTSHRSMN1; SMN2TP53RAB9A
SCHEMBL18646660 0.69 POLB (0.38) KMT2APOLBTSHR
SCHEMBL1509684 0.68
SCHEMBL23277327 0.66
SCHEMBL4545266 0.66 KEAP1 (0.48) KMT2AMTNR1ATSHRMTNR1BSMN1; SMN2
SCHEMBL13870744 0.66 SMN1; SMN2 (0.39) KMT2AMTNR1APOLBMTNR1BSMN1; SMN2
SCHEMBL12662755 0.66 PIK3CD (0.41) TSHRSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL23743989 0.66 HPGD (0.61) SMN1; SMN2RAB9AALDH1A1

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
WO-2017153527-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2017-09-14 WO disclosed