SCHEMBL14065288

SCHEMBL14065288

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 20/20 0.72
ROCK2 O75116 4/20 0.56
PRKACA P17612 4/20 0.56
PRKACG P22612 4/20 0.56
PRKACB P22694 4/20 0.56
LIMK1 P53667 4/20 0.56

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
SCHEMBL14065302 0.90 LIMK2 (0.80) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065300 0.89 LIMK2 (0.74) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065296 0.88 LIMK2 (0.81) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065303 0.88 LIMK2 (0.73) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065306 0.87 LIMK2 (0.72) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065293 0.87 LIMK2 (0.81) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065292 0.87 LIMK2 (0.71) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065299 0.86 LIMK2 (0.68) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065304 0.86 LIMK2 (0.70) LIMK2ROCK2PRKACAPRKACGPRKACB
SCHEMBL14065305 0.86 LIMK2 (0.70) LIMK2ROCK2PRKACAPRKACGPRKACB

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