Sugi Predict

Sugi Predict / Compounds / SCHEMBL22288355

SCHEMBL22288355

SCHEMBL22288355

COc1c(-c2ncn(C3CC3)n2)cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TYK2 P29597 6/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ F2RL3 Q96RI0 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL29359712 1.00 ALDH1A1 (0.38) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL30660738 0.92 TYK2 (0.35) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL30536159 0.90 NPC1 (0.34) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL26934136 0.83 MAPT (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29739962 0.82 S1PR1 (0.34) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL22313973 0.82 S1PR1 (0.34) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL15690274 0.82 TYK2 (0.42) TYK2JAK2JAK1JAK3
SCHEMBL29607458 0.82 TYK2 (0.42) TYK2JAK2JAK1JAK3
SCHEMBL30498081 0.79 ALDH1A1 (0.37) ALDH1A1RAB9ASMN1; SMN2KMT2ATYK2
SCHEMBL30498479 0.79 MAPT (0.43) ALDH1A1KMT2AMEN1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448910-B Pyridazine derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-19 — — CN disclosed
CN-117263918-A Pyridazine derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2023-12-22 — — CN disclosed
WO-2023236945-A1 PYRIDAZIN-3-CARBOXAMIDE COMPOUND AS TYK2 INHIBITOR 广州费米子科技有限责任公司 2023-12-14 — — WO disclosed
CN-117186074-A Pyridazine-3-carboxamide compounds as TYK2 inhibitors 广州费米子科技有限责任公司 2023-12-08 — — CN disclosed
CN-111757878-B Pyridazine derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2023-07-28 — — CN disclosed
CN-115667246-A Crystal form of pyridazine derivative free base and preparation method and application thereof 上海翰森生物医药科技有限公司 2023-01-31 — — CN disclosed
CN-115448910-A Pyridazine derivative inhibitor, and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-09 — — CN disclosed
WO-2022017494-A1 CRYSTAL FORM OF PYRIDAZINE DERIVATIVE FREE BASE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-01-27 — — WO disclosed
CN-113968846-A Salts and crystal forms of pyridazine derivatives, and preparation methods and applications of salts and crystal forms 上海翰森生物医药科技有限公司 2022-01-25 — — CN disclosed
CN-111757878-A Pyridazine derivative inhibitor, and preparation method and application thereof 江苏豪森药业集团有限公司 2020-10-09 — — CN disclosed
WO-2020156311-A1 PYRIDAZINE DERIVATIVE INHIBITOR, AND PREPARATION METHOD AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-08-06 — — WO disclosed
WO-2020156311-A1 PYRIDAZINE DERIVATIVE INHIBITOR, AND PREPARATION METHOD AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-08-06 — — WO disclosed