SCHEMBL12657441

SCHEMBL12657441

CCC1CC(C)=C(Nc2nc(-c3ccccc3)nc3cnccc23)C=C1C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 19/20 0.51
LATS2 Q9NRM7 13/20 0.47
PDE5A O76074 1/20 0.43

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
SCHEMBL12657460 0.75 LATS1 (0.49) LATS1LATS2PDE5A
SCHEMBL14344353 0.71 LATS1 (0.89) LATS1LATS2PDE5A
SCHEMBL16963713 0.69 LATS1 (1.00) LATS1LATS2PDE5A
SCHEMBL786548 0.68 LATS1 (0.58) LATS1LATS2PDE5A
SCHEMBL801605 0.68 AURKA (0.79) LATS1
SCHEMBL26177128 0.67 LATS1 (1.00) LATS1LATS2
SCHEMBL31375190 0.67 LATS1 (1.00) LATS1LATS2
SCHEMBL20548215 0.65 LATS1 (1.00) LATS1LATS2
SCHEMBL14529244 0.65 MAPT (0.36) PDE5A
SCHEMBL786649 0.65 LATS1 (0.54) LATS1LATS2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317448-B2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 EP disclosed