SCHEMBL4038259

SCHEMBL4038259

O=c1[nH]c2cnc(Cl)cc2n2cncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.38
GRIA2 P42262 4/20 0.38
GRIA3 P42263 4/20 0.38
GRIA4 P48058 4/20 0.38
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
CHEK1 O14757 2/20 0.37
PDE9A O76083 2/20 0.34
PDE5A O76074 1/20 0.34
GABRA5 P31644 5/20 0.33
GABRA1 P14867 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL4038341 0.88 PDE9A (0.39) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL2468642 0.79 DAO (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29235228 0.77 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL4036186 0.73 PARP1 (0.42) CHEK1GABRA5GABRA1CHEK2CDK1
SCHEMBL7980241 0.73 DAO (0.46) GABRA5GABRA1GABRPGABRDGABRB1
SCHEMBL29235466 0.73 TP53 (0.46) CHEK1PDE9APDE5AGABRA5GABRA1
SCHEMBL7982949 0.73 GABRA5 (0.36) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL31137521 0.72 PDE9A (0.44) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7986801 0.72 GRIN2D (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL4038168 0.72 CHEK1 (0.41) GRIA1GRIA2GRIA3GRIA4GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431378-A Ring-fused compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-02-14 CN disclosed
CN-118221682-B Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-01-28 CN disclosed
WO-2024234821-A1 TRICYCLIC AMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
CN-118221682-A Amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-06-21 CN disclosed
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed
EP-2018387-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
EP-2018385-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115933-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-5990109-A NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA BRISTOL-MYERS SQUIBB CO. (US) 1999-11-23 US disclosed