SCHEMBL7905484

SCHEMBL7905484

Nc1c(Nc2cccc(-c3cccnc3)c2)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ABL1 P00519 7/20 0.48
BCR P11274 6/20 0.48
EGFR P00533 2/20 0.48
SRC P12931 2/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
CNR1 P21554 1/20 0.46
FLT3 P36888 1/20 0.45
AURKA O14965 1/20 0.43
TTK P33981 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
PRKCA P17252 3/20 0.42
PRKCD Q05655 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
SCHEMBL7915476 0.87 CNR1 (0.45) MEN1ABL1BCREGFRSRC
SCHEMBL7905958 0.86 PLK1 (0.50) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL7913081 0.86 HDAC3 (0.46) MEN1ABL1BCRSRCCNR1
SCHEMBL7346763 0.84 TDO2 (0.50) KMT2ANPC1PKMKIF11
SCHEMBL7905830 0.82 SIRT2 (0.48) MEN1CNR1ALDH1A1HDAC1KMT2A
SCHEMBL7905940 0.81 BRD4 (0.39) MEN1ABL1BCREGFRSRC
SCHEMBL7916081 0.77 CNR1 (0.47) ABL1BCRCNR1PRKCACYP2A6
SCHEMBL7913791 0.76 CXCR2 (0.37) MEN1ABL1BCREGFRSRC
SCHEMBL14704101 0.76 CYP1A2 (0.56) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL29666524 0.76 CYP1A2 (0.56) MEN1PSIP1AXLMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US claimed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed