SCHEMBL3389918

SCHEMBL3389918

CCN(CC)CCCC(C)Nc1nccc(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.54
IGF1R P08069 9/20 0.52
KCNH3 Q9ULD8 1/20 0.49
EGFR P00533 1/20 0.49
INSR P06213 1/20 0.49
MET P08581 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
CACNA2D1 P54289 4/20 0.48
MAPT P10636 1/20 0.47
RAC1 P63000 1/20 0.47

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
SCHEMBL3392739 0.89 CCR4 (0.54) CCR4IGF1RKCNH3CACNA2D1MAPT
SCHEMBL879557 0.78 CCR4 (0.53) CCR4KCNH3EGFRMAPTRAC1
SCHEMBL3389537 0.77 RAC1 (0.68) CCR4KCNH3CACNA2D1MAPTRAC1
SCHEMBL3389001 0.77 CCR4 (0.52) CCR4KCNH3MAPTRAC1
SCHEMBL29920803 0.77 RAC1 (0.54) CCR4KCNH3CACNA2D1MAPTRAC1
SCHEMBL20966325 0.77 RAC1 (0.54) CCR4KCNH3CACNA2D1MAPTRAC1
SCHEMBL3393939 0.76 CCR4 (0.53) CCR4KCNH3EGFRMAPTRAC1
SCHEMBL13868216 0.75 RAC1 (0.81) CCR4KCNH3CACNA2D1MAPTRAC1
SCHEMBL6313422 0.73 IGF1R (0.60) IGF1REGFRINSRMETCDK2
SCHEMBL8183557 0.71 CACNA2D1 (0.64) CCR4CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010119050-A1 NEW RAC1 INHIBITORS AS POTENTIAL PHARMACOLOGICAL AGENTS FOR HEART FAILURE TREATMENT UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-10-21 WO claimed
EP-2241555-A1 New RAC1 inhibitors as potential pharmacological agents for heart failure treatment UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-10-20 EP claimed
WO-2010119050-A1 NEW RAC1 INHIBITORS AS POTENTIAL PHARMACOLOGICAL AGENTS FOR HEART FAILURE TREATMENT UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-10-21 WO disclosed
WO-2010119050-A1 NEW RAC1 INHIBITORS AS POTENTIAL PHARMACOLOGICAL AGENTS FOR HEART FAILURE TREATMENT UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-10-21 WO disclosed
EP-2241555-A1 New RAC1 inhibitors as potential pharmacological agents for heart failure treatment UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-10-20 EP disclosed