SCHEMBL7003468

SCHEMBL7003468

Cc1cc(-c2nnc3cc(C(C)(C)C)c(Cl)nn23)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.35
GABRG2 P18507 9/20 0.35
GABRB3 P28472 9/20 0.35
GABRA3 P34903 9/20 0.35
GABRA5 P31644 8/20 0.35
GABRA2 P47869 8/20 0.35
GABRA4 P48169 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
GABRA6 Q16445 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
P2RX7 Q99572 2/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL31226190 0.90 MAPT (0.33) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL19578582 0.84 NOTUM (0.39) GABRA1GABRG2GABRB3GABRA3
SCHEMBL19578262 0.82 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA3
SCHEMBL7001174 0.81 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657155 0.81 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL19578583 0.80 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL23529930 0.79 STAT3 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL31226333 0.78 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL31226222 0.78 ALDH1A1 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL31226119 0.77 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088885-A Triazolopyridazine compound and application thereof 上海赛默罗生物科技有限公司 2023-11-21 CN disclosed
CN-114591352-B Triazolopyridazine compound and application thereof 上海赛默罗生物科技有限公司 2022-09-09 CN disclosed
CN-114591352-A Triazolopyridazine compound and application thereof 上海赛默罗生物科技有限公司 2022-06-07 CN disclosed
WO-2017190707-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 如东赛默罗生物科技有限公司 2017-11-09 WO disclosed
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP disclosed
US-6444666-B1 SUCH AS ALZHEIMER'S DISEASE; SUBSTITUTED 1,2,4-TRIAZOLO(4,3-B) PYRIDAZINE DERIVATIVES ARE LIGANDS FOR GABA RECEPTORS; CONVULSANT ACTIVITY IS REDUCED OR ELIMINATED MERCK SHARP & DOHME LTD. (GB) 2002-09-03 US disclosed
US-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed