SCHEMBL8088056

SCHEMBL8088056

Brc1cccc(Nc2ncnc3c2c2c(n3Cc3ccccc3)CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.53
ABL1 P00519 3/20 0.53
ABL2 P42684 2/20 0.53
SRC P12931 2/20 0.47
PDGFRB P09619 2/20 0.45
FLT1 P17948 2/20 0.43
KDR P35968 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KIT P10721 1/20 0.43
FLT4 P35916 1/20 0.43
MKNK1 Q9BUB5 3/20 0.42
PRMT5 O14744 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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) EGFRABL1ABL2SRCMKNK1
SCHEMBL8088017 0.88 MKNK1 (0.54) EGFRABL1ABL2SRCABCG2
SCHEMBL8088051 0.79 MEN1 (0.63) EGFRABL1ABL2SRCPDGFRB
SCHEMBL3254913 0.76 ABCC1 (0.43) ABCG2ALDH1A1
SCHEMBL7494710 0.76 MEN1 (0.56)
SCHEMBL8016721 0.75 SLC2A1 (0.49) ALDH1A1
SCHEMBL17406910 0.75 TSHR (0.57)
SCHEMBL3262074 0.73 MEN1 (0.47) ABCG2ALDH1A1MAPT
SCHEMBL3257221 0.73 MAPK14 (0.41)
SCHEMBL13064037 0.73 EGFR (0.53) EGFRABL1SRCMKNK1PRMT5

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