SCHEMBL2370713

SCHEMBL2370713

Cc1ccccc1N1CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.45
FNTB P49356 10/20 0.45
CYP19A1 P11511 5/20 0.38
PGGT1B P53609 4/20 0.37
HRH3 Q9Y5N1 1/20 0.34
NRAS P01111 1/20 0.34
HRAS P01112 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CPA1 P15085 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
SCHEMBL7749673 0.93 FNTA (0.53) FNTAFNTBCYP19A1PGGT1BHRH3
SCHEMBL7515948 0.86 FNTA (0.41) FNTAFNTBCYP19A1PGGT1BHRH3
SCHEMBL3498159 0.85 FNTA (0.38) FNTAFNTBCYP19A1PGGT1BHRH3
SCHEMBL3500065 0.84 FNTA (0.35) FNTAFNTBCYP19A1PGGT1BHRH3
Hydrochloric Acid SCHEMBL7655739 0.84 FNTA (0.37) FNTAFNTBCYP19A1PGGT1BHRH3
Hydrochloric Acid SCHEMBL7662498 0.84 ADRA1D (0.35) FNTAFNTBCYP19A1PGGT1BHRH3
SCHEMBL3500207 0.82 FNTA (0.43) FNTAFNTBCYP19A1PGGT1BHRH3
SCHEMBL1683543 0.82 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Water SCHEMBL7194386 0.82 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7972250 0.82 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547661-A2 INDAZOLE COMPOUNDS AND THEIR USES Dana-Farber Cancer Institute, Inc. (US) 2013-01-23 EP disclosed
WO-2011115725-A2 INDAZOLE COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-09-22 WO disclosed
EP-1503757-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-16 EP disclosed
EP-1503757-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-02-09 EP disclosed
WO-2003092595-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC (US) 2003-11-13 WO disclosed