SCHEMBL7498152

SCHEMBL7498152

CC(C)C(=O)Nc1cccc(-c2cc3c(NC(C)c4ccccc4)ncnc3[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.71
KDR P35968 4/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 3/20 0.63
HDAC1 Q13547 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
ERBB2 P04626 3/20 0.62
CSF1R P07333 1/20 0.61

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
SCHEMBL7498147 1.00 EGFR (0.71) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7497282 0.91 EGFR (0.82) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7497288 0.91 EGFR (0.82) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7499893 0.90 EGFR (0.83) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7499887 0.90 EGFR (0.83) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7492133 0.90 EGFR (0.70) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL7496939 0.90 EGFR (0.70) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6807507 0.89 EGFR (0.69) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL6807502 0.89 EGFR (0.69) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL8327218 0.87 EGFR (0.67) EGFRKDRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100778-C Pyrrolopyrimidines and process for their preparation NOVARTIS CO (CH) 2003-02-05 CN claimed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP claimed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP claimed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO claimed
CN-1100778-C Pyrrolopyrimidines and process for their preparation NOVARTIS CO (CH) 2003-02-05 CN disclosed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO disclosed