SCHEMBL4039665

SCHEMBL4039665

O=c1[nH]c2ncccc2n2cncc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
GABRA5 P31644 9/20 0.47
GABRA1 P14867 5/20 0.44
ADORA3 P0DMS8 2/20 0.43
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
LCK P06239 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL249873 0.77 PDE2A (0.59) DAOGABRA5GABRA1PARP1
SCHEMBL4763948 0.76 PARP1 (0.59) DAOGABRA5GABRA1ADORA3PARP1
SCHEMBL30095396 0.76 PARP1 (0.59) DAOGABRA5GABRA1ADORA3PARP1
SCHEMBL4036186 0.74 PARP1 (0.42) DAOGABRA5GABRA1PARP1
SCHEMBL29235248 0.74 AURKA (0.41) DAOGABRA5GABRA1AURKALCK
SCHEMBL4039587 0.71 TYRO3 (0.41) DAOGABRA5LCK
SCHEMBL30577450 0.71 DAO (0.46) DAOGABRA5GABRA1LCKOPRL1
SCHEMBL28526022 0.69 DAO (0.51) DAOADORA3AURKAPARP1OPRM1
SCHEMBL29712607 0.69 DAO (0.51) DAOADORA3AURKAPARP1OPRM1
SCHEMBL26671849 0.69 DAO (0.51) DAOADORA3AURKAPARP1OPRM1

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-119661811-A Latent accelerator based on anhydride-tertiary amine dynamic ion pair, preparation method and application thereof 江南大学 2025-03-21 CN claimed
CN-119661811-A Latent accelerator based on anhydride-tertiary amine dynamic ion pair, preparation method and application thereof 江南大学 2025-03-21 CN disclosed
CN-107971655-B High-heat-resistance organic solder flux and application thereof 永星化工(上海)有限公司 2019-12-27 CN disclosed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 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