SCHEMBL9377703

SCHEMBL9377703

Cc1nc2c(c(=O)[nH]1)SCCN2

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ PARP3 Q9Y6F1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ INMT O95050 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 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
SCHEMBL9381657 0.79 SRC (0.39) ALDH1A1L3MBTL1INMTPRKD1PRKD2
SCHEMBL7782104 0.71 PARP1 (0.56) PARP1PARP15PARP3ALDH1A1L3MBTL1
SCHEMBL12102081 0.71 ALDH1A1 (0.38) PARP1PARP15PARP3ALDH1A1L3MBTL1
SCHEMBL7784771 0.69 PARP1 (0.50) PARP1PARP15PARP3ALDH1A1L3MBTL1
SCHEMBL12102086 0.64 PARP1 (0.37) PARP1PARP15PARP3ALDH1A1L3MBTL1
SCHEMBL21259968 0.61 PARP1 (0.38) PARP1PARP15PARP3ALDH1A1L3MBTL1
SCHEMBL10281390 0.61 ADORA3 (0.31) —
SCHEMBL12002288 0.57 MEN1 (0.39) ALDH1A1INMTRAB9A
SCHEMBL12102042 0.57 PARP1 (0.37) PARP1PARP15PARP3ALDH1A1L3MBTL1
SCHEMBL17547289 0.57 PARP1 (0.40) PARP1PARP15PARP3ALDH1A1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327284-B1 Triazolo(1,5-c)pyrimido(1,4) azines as bronchodilators RIKER LABORATORIES INC (US) 1994-08-17 — — EP disclosed
US-5166343-A Chemical intermediates for bronchodilators RIKER LABORATORIES, INC. (US) 1992-11-24 — — US disclosed
US-5089493-A Triazolo[1,5-C]pyrimido[1,4]azines as bronchodilators RIKER LABORATORIES, INC. (US) 1992-02-18 — — US disclosed
US-4981850-A Triazolo[1,5-c]pyrimido[1,4]azines as bronchodilators RIKER LABORATORIES, INC. (US) 1991-01-01 — — US disclosed
EP-0327284-A2 Triazolo(1,5-c)pyrimido(1,4) azines as bronchodilators RIKER LABORATORIES, INC. (US) 1989-08-09 — — EP disclosed
Send feedback