SCHEMBL4323717

SCHEMBL4323717

COCCNc1cc(CN2CCCC2)ccc1C(=O)Nc1nn(C(=O)O)c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.41
INSR P06213 5/20 0.40
ALK Q9UM73 5/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33
BRAF P15056 1/20 0.33
TP53 P04637 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1896630 0.95 INSR (0.40) IGF1RINSRALKAURKAAURKB
SCHEMBL1894442 0.93 IGF1R (0.39) IGF1RINSRALKAURKAAURKB
SCHEMBL1891769 0.92 INSR (0.39) IGF1RINSRALKAURKAAURKB
SCHEMBL1894802 0.91 IGF1R (0.38) IGF1RINSRALKAURKAAURKB
SCHEMBL4326750 0.89 IGF1R (0.41) IGF1RINSRALKAURKAAURKB
SCHEMBL4316899 0.86 IGF1R (0.57) IGF1RINSRALKAURKAAURKB
SCHEMBL1433425 0.85 INSR (0.42) IGF1RINSRALKAURKAAURKB
SCHEMBL1433424 0.85 INSR (0.42) IGF1RINSRALKAURKAAURKB
SCHEMBL1893910 0.85 INSR (0.42) IGF1RINSRALKAURKAAURKB
SCHEMBL4323676 0.85 IGF1R (0.40) IGF1RINSRALKAURKAAURKB

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
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO claimed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed