Sugi Predict

Sugi Predict / Compounds / SCHEMBL17033745

SCHEMBL17033745

SCHEMBL17033745

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccccn6)cc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ GRM5 P41594 8/20 0.34
▸ MCL1 Q07820 3/20 0.33
▸ DHFR P00374 1/20 0.33
▸ METAP2 P50579 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ TSHR P16473 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
SCHEMBL17033727 0.95 HTR1A (0.35) HTR1AHTR7NPY5RGRM5MCL1
SCHEMBL17033768 0.91 NPY5R (0.37) NPY5RGRM5MCL1METAP2DHODH
SCHEMBL17033417 0.90 HTR1A (0.42) HTR1AHTR7GRM5MCL1DHFR
SCHEMBL17033743 0.89 PTGER4 (0.33) NPY5R
SCHEMBL17033747 0.88 KDM4E (0.38) NPY5R
SCHEMBL17033454 0.88 KDM4E (0.36) TSHR
SCHEMBL17033445 0.86 MCL1 (0.35) HTR1AHTR7NPY5RGRM5MCL1
SCHEMBL17033757 0.86 KDM4E (0.36) TSHR
SCHEMBL17033459 0.86 KDM4E (0.35) TSHR
SCHEMBL17033448 0.86 KDM4E (0.35) TSHR

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed