SCHEMBL14065286

SCHEMBL14065286

Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cccc(Oc5ccc(F)nc5)c4)CC3)c12

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 20/20 0.82
ROCK2 O75116 1/20 0.52
LIMK1 P53667 1/20 0.52
ROCK1 Q13464 1/20 0.52

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
SCHEMBL14065257 0.93 LIMK2 (0.89) LIMK2
SCHEMBL14065259 0.91 LIMK2 (0.83) LIMK2ROCK2LIMK1ROCK1
SCHEMBL14065263 0.91 LIMK2 (0.86) LIMK2
SCHEMBL14065280 0.90 LIMK2 (0.90) LIMK2
SCHEMBL14065261 0.90 LIMK2 (1.00) LIMK2
SCHEMBL14065262 0.90 LIMK2 (0.89) LIMK2
SCHEMBL14065264 0.90 LIMK2 (0.89) LIMK2
SCHEMBL14065321 0.89 LIMK2 (0.88) LIMK2
SCHEMBL14065301 0.89 LIMK2 (0.93) LIMK2
SCHEMBL14065260 0.88 LIMK2 (0.83) LIMK2ROCK2LIMK1ROCK1

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