SCHEMBL4764786

SCHEMBL4764786

CCOC(=O)c1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BRAF P15056 5/20 0.52
TNNI3K Q59H18 5/20 0.52
HPGD P15428 2/20 0.52
TRPV1 Q8NER1 1/20 0.51
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
FBP1 P09467 1/20 0.48
ALOX5 P09917 2/20 0.48
EGFR P00533 2/20 0.48
PTGES O14684 1/20 0.47
ABL1 P00519 1/20 0.46
ABL2 P42684 1/20 0.46
CSF1R P07333 1/20 0.46
TTBK1 Q5TCY1 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
SCHEMBL7497824 0.94 BRAF (0.50) LMNAMAPTRXFP1POLBSMN1; SMN2
SCHEMBL7494602 0.92 LMNA (0.56) LMNAMAPTRXFP1POLBSMN1; SMN2
SCHEMBL7497707 0.91 BRAF (0.54) LMNAMAPTSMN1; SMN2BRAFTNNI3K
SCHEMBL7496084 0.90 BRAF (0.49) LMNAMAPTRXFP1BRAFTNNI3K
SCHEMBL4766993 0.88 BRAF (0.51) BRAFTNNI3KFBP1EGFR
SCHEMBL4764369 0.87 EGFR (0.52) LMNAMAPTRXFP1HPGDRAB9A
SCHEMBL7494298 0.87 BRAF (0.51) BRAFTNNI3KEGFRABL1ABL2
SCHEMBL4773160 0.85 ERBB2 (0.58) LMNAMAPTRXFP1EGFRCSF1R
SCHEMBL7492081 0.85 EGFR (0.58) BRAFTNNI3KEGFRABL1ABL2
SCHEMBL7497533 0.85 BRAF (0.51) BRAFTNNI3KFBP1EGFRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP disclosed
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-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP disclosed
CN-1194647-A Pyrrolopyrimidines and processes for preparation thereof NOVARTIS CO (CH) 1998-09-30 CN disclosed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO disclosed