SCHEMBL4077668

SCHEMBL4077668

COc1cccc2c(Nc3cc(C4CC4)[nH]n3)nc(Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.52
AURKB Q96GD4 2/20 0.52
IGF1R P08069 7/20 0.52
NTRK1 P04629 3/20 0.49
PAK4 O96013 1/20 0.48
PAK1 Q13153 1/20 0.48
ULK1 O75385 1/20 0.46

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
SCHEMBL4067519 0.86 IGF1R (0.53) IGF1RNTRK1PAK4PAK1ULK1
SCHEMBL14324075 0.82 IGF1R (0.51) AURKAAURKBIGF1RNTRK1PAK4
SCHEMBL786513 0.79 ULK1 (0.65) AURKBNTRK1PAK4PAK1ULK1
SCHEMBL29618398 0.79 ULK1 (0.65) AURKBNTRK1PAK4PAK1ULK1
SCHEMBL4068978 0.78 PAK4 (0.59) IGF1RPAK4PAK1
SCHEMBL12430601 0.76 AURKB (0.74) AURKAAURKBIGF1RULK1
SCHEMBL13054580 0.76 AURKB (0.49) AURKAAURKBIGF1RNTRK1PAK4
SCHEMBL14323363 0.75 IGF1R (0.49) IGF1RNTRK1PAK4PAK1ULK1
SCHEMBL4071502 0.74 NTRK1 (0.61) IGF1RNTRK1PAK4PAK1ULK1
SCHEMBL4068008 0.74 NTRK1 (0.61) NTRK1PAK4PAK1

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-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed