SCHEMBL7497953

SCHEMBL7497953

Clc1cccc(Nc2ncnc3c2c2c(n3Cc3ccccc3)CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.54
MKNK1 Q9BUB5 3/20 0.54
SRC P12931 5/20 0.50
ABL1 P00519 5/20 0.50
CDK1 P06493 3/20 0.50
PRKCA P17252 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL8088017 0.89 MKNK1 (0.54) EGFRMKNK1SRCABL1LMNA
SCHEMBL8088056 0.89 EGFR (0.53) EGFRMKNK1SRCABL1ALDH1A1
SCHEMBL8076523 0.79 MEN1 (0.64) EGFRMKNK1SRCABL1CDK1
SCHEMBL7494710 0.79 MEN1 (0.56) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL3257233 0.77 ALDH1A1 (0.45) MKNK1MEN1KMT2ALMNAHTT
SCHEMBL3254913 0.77 ABCC1 (0.43) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL8129590 0.76 SRC (0.58) EGFRMKNK1SRCABL1CDK1
SCHEMBL17406910 0.76 TSHR (0.57) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL8016721 0.76 SLC2A1 (0.49) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL8123792 0.75 SRC (0.57) EGFRMKNK1SRCABL1CDK1

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 7 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 disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
EP-0682027-B1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA GEIGY AG (CH) 1997-10-15 EP disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO disclosed
EP-0682027-A1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA-GEIGY AG (CH) 1995-11-15 EP disclosed