SCHEMBL7831091

SCHEMBL7831091

N#Cc1ccc(Cn2cncc2CN2CCC3(CC2)C(=O)N(Cc2ccccc2OC(F)(F)F)CN3c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.60
FNTB P49356 20/20 0.60
PGGT1B P53609 18/20 0.60
NRAS P01111 1/20 0.44
HRAS P01112 1/20 0.44

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
Hydrochloric Acid SCHEMBL7991896 0.99 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7842924 0.87 FNTA (0.60) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7843843 0.87 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7837107 0.83 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7833379 0.83 FNTA (0.62) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7977774 0.82 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL7971076 0.78 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL7840204 0.77 FNTA (0.67) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7840562 0.77 FNTA (0.64) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7845788 0.77 FNTA (0.63) FNTAFNTBPGGT1B

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-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP claimed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP claimed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US claimed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO claimed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed