SCHEMBL14065299

SCHEMBL14065299

Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cccc(S(=O)(=O)Nc5cccc(N(C)C)c5)c4)CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 18/20 0.68
LIMK1 P53667 2/20 0.48
AKT1 P31749 2/20 0.48
ROCK2 O75116 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48

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
SCHEMBL14065291 0.91 LIMK2 (0.82) LIMK2AKT1
SCHEMBL14065295 0.87 LIMK2 (0.72) LIMK2LIMK1AKT1ROCK2PRKACA
SCHEMBL14065288 0.86 LIMK2 (0.72) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065274 0.83 LIMK2 (0.72) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065298 0.79 LIMK2 (0.84) LIMK2AKT1
SCHEMBL14065287 0.79 LIMK2 (0.67) LIMK2AKT1
SCHEMBL18286607 0.78 LIMK2 (0.79) LIMK2AKT1
SCHEMBL14065296 0.78 LIMK2 (0.81) LIMK2LIMK1AKT1ROCK2PRKACA
SCHEMBL14065265 0.78 LIMK2 (0.81) LIMK2LIMK1AKT1ROCK2PRKACA
SCHEMBL14065261 0.77 LIMK2 (1.00) LIMK2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed