SCHEMBL14065302

SCHEMBL14065302

Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCN(c4ncnc5[nH]cc(C)c45)CC3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 17/20 0.80
LIMK1 P53667 3/20 0.55
ROCK2 O75116 2/20 0.55
PRKACA P17612 2/20 0.55
PRKACG P22612 2/20 0.55
PRKACB P22694 2/20 0.55
AKT1 P31749 2/20 0.53

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
SCHEMBL14065303 0.94 LIMK2 (0.73) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065300 0.93 LIMK2 (0.74) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065293 0.92 LIMK2 (0.81) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065305 0.91 LIMK2 (0.70) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065304 0.91 LIMK2 (0.70) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065306 0.91 LIMK2 (0.72) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065296 0.91 LIMK2 (0.81) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065288 0.90 LIMK2 (0.72) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065292 0.89 LIMK2 (0.71) LIMK2LIMK1ROCK2PRKACAPRKACG
SCHEMBL14065308 0.88 LIMK2 (0.67) LIMK2LIMK1ROCK2PRKACAPRKACG

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