SCHEMBL3123589

SCHEMBL3123589

N#CC1C=CC=CC1(N)Cl

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Ammonia Solution, Strong SCHEMBL28953717 0.98
SCHEMBL18131671 0.76
SCHEMBL31595667 0.76
SCHEMBL31588214 0.75
SCHEMBL3840273 0.74
SCHEMBL17925957 0.74
SCHEMBL27909178 0.74
SCHEMBL3660058 0.74
SCHEMBL27884176 0.74
Ammonia Solution, Strong SCHEMBL28953718 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US claimed
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BANKSTON DONALD 2010-05-20 US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1542992-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF Bayer Corporation (US) 2005-06-22 EP claimed
WO-2004029045-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof BAYER HEALTHCARE LLC 2003-11-27 US claimed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO claimed
CN-109912439-B Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 天宝动物营养科技股份有限公司 2022-09-23 CN disclosed
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BANKSTON DONALD 2010-05-20 US disclosed
US-7645878-B2 Reacting an aniline derivative with an acylchloride to form an intermeidate, cyclizing the intermediate, replacing hydroxy group with a leaving group (chloride), racting the product with an amino-heterocyclic compound BAYER HEALTHCARE LLC (US) 2010-01-12 US disclosed
EP-1953152-A1 Process for preparing quinazoline RHO-kinase inhibitors and intermediates thereof Bayer Corporation (US) 2008-08-06 EP disclosed
EP-1542992-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF Bayer Corporation (US) 2005-06-22 EP disclosed
WO-2004029045-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO disclosed
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof BAYER HEALTHCARE LLC 2003-11-27 US disclosed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO disclosed