SCHEMBL10816555

SCHEMBL10816555

CCCCCc1nnc(S)nc1CCCCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.30

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
SCHEMBL4949768 0.77 GPR84 (0.47) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL3662375 0.75 DHFR (0.45) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL10815973 0.75 MEN1 (0.37) MEN1KMT2AKCNH2ALDH1A1GPR84
SCHEMBL10818337 0.75 KMT2A (0.37) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL3265562 0.72 MEN1 (0.39) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL10858339 0.72 MEN1 (0.35) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL10816526 0.72 MEN1 (0.35) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL19625907 0.70 KCNH2 (0.46) MEN1KMT2AKCNH2ALDH1A1PKM
SCHEMBL11109583 0.69 L3MBTL1 (0.36) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL5138095 0.69 HRH3 (0.41) MEN1KMT2AKCNH2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601624-B A kind of 1,2,4- triazines-coumarin type compound and its preparation method and purposes 南京双科医药开发有限公司 2018-05-22 — — CN claimed
EP-0088593-B1 1,2,4-TRIAZINE AND PYRAZINE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-05-27 — — EP disclosed
US-4585861-A ACTIVATORS OF GAMMA-AMINOBUTYRIC ACID AND BENZODIAZEPINE BINDING ELI LILLY AND COMPANY (US) 1986-04-29 — — US disclosed
US-4513135-A GAMMA-AMINOBUTYRIC ACID BINDING AGTIVATORS ELI LILLY AND COMPANY (US) 1985-04-23 — — US disclosed
EP-0088593-A2 1,2,4-Triazine and pyrazine derivatives ELI LILLY AND COMPANY (US) 1983-09-14 — — EP disclosed
US-4318911-A 5,6-Diaryl-1,2,4-triazines as topical antithrombotic agents ELI LILLY AND COMPANY (US) 1982-03-09 — — US disclosed
US-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 — — US disclosed
US-4018923-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-04-19 — — US disclosed
US-4013654-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-03-22 — — US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US disclosed
Send feedback