SCHEMBL4405093

SCHEMBL4405093

CCCCC1C(=O)N(c2ccccc2C)CCN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.40
FNTB P49356 15/20 0.40
PGGT1B P53609 6/20 0.39
CYP19A1 P11511 2/20 0.37
KCNH2 Q12809 3/20 0.33
MC4R P32245 2/20 0.33
MC1R Q01726 2/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL2381616 0.94 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1KCNH2
Trifluoroacetic Acid SCHEMBL8162228 0.89 FNTA (0.43) FNTAFNTBPGGT1BCYP19A1KCNH2
SCHEMBL445939 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
SCHEMBL5131468 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
Hydrochloric Acid SCHEMBL8160943 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
Hydrochloric Acid SCHEMBL8541088 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
SCHEMBL5551508 0.83 FNTA (0.44) FNTAFNTBPGGT1BKCNH2GRM2
SCHEMBL2370713 0.80 FNTA (0.45) FNTAFNTBPGGT1BCYP19A1
SCHEMBL6965295 0.80 CYP19A1 (0.36) FNTAFNTBPGGT1BCYP19A1KCNH2
SCHEMBL3517007 0.79 FNTA (0.50) FNTAFNTBPGGT1BCYP19A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132198-A1 SOLID FORMS OF A RAF KINASE INHIBITOR Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008140850-A1 SOLID FORMS OF A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2008-11-20 WO disclosed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO disclosed
EP-1259236-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-11-03 EP disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO disclosed
EP-1259236-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed