SCHEMBL8088017

SCHEMBL8088017

Fc1cccc(Nc2ncnc3c2c2c(n3Cc3ccccc3)CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.54
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
RAF1 P04049 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
ABL1 P00519 3/20 0.47
SRC P12931 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 3/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PRMT5 O14744 1/20 0.42
ABL2 P42684 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7497953 0.89 EGFR (0.54) MKNK1MAPTLMNAHTTABL1
SCHEMBL8088056 0.88 EGFR (0.53) MKNK1MAPTABL1SRCEGFR
SCHEMBL3262778 0.80 MAPK14 (0.41) MKNK1ABL1FABP3FABP4
SCHEMBL8076462 0.79 KMT2A (0.63) MKNK1MAPTMAPK1HTTABL1
SCHEMBL3254913 0.76 ABCC1 (0.43) LMNAHTTKDM4ENPC1RAB9A
SCHEMBL7494710 0.76 MEN1 (0.56) LMNAMAPK1HTTKDM4ENPC1
SCHEMBL8016721 0.75 SLC2A1 (0.49) LMNAMAPK1HTTKDM4ENPC1
SCHEMBL17406910 0.75 TSHR (0.57) LMNAMAPK1HTTKDM4ENPC1
SCHEMBL3262074 0.73 MEN1 (0.47) MAPTMAPK1HTTKDM4ENPC1
SCHEMBL3257221 0.73 MAPK14 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed
EP-0682027-B1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA GEIGY AG (CH) 1997-10-15 EP disclosed
EP-0682027-A1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA-GEIGY AG (CH) 1995-11-15 EP disclosed