SCHEMBL8819987

SCHEMBL8819987

COc1cccc(-n2cc(-c3ccccc3)c3ncnc(O)c32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.50
ABL1 P00519 3/20 0.50
EGFR P00533 3/20 0.50
ABL2 P42684 3/20 0.50
CDK1 P06493 2/20 0.50
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.45
FGFR1 P11362 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDR P35968 1/20 0.42
BRAF P15056 1/20 0.42
MAPK14 Q16539 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
SCHEMBL8819623 0.86 SRC (0.61) SRCABL1EGFRABL2CDK1
SCHEMBL8819904 0.80 PI4KA (0.44) SRCABL1EGFRABL2CDK1
SCHEMBL8819985 0.80 NPC1 (0.39) SRCABL1EGFRABL2CDK1
SCHEMBL8820760 0.76 PI4KA (0.41) SRCABL1EGFRABL2CDK1
SCHEMBL8820549 0.76 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL8819665 0.74 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL8819907 0.74 SRC (0.61) SRCABL1EGFRABL2CDK1
SCHEMBL8820820 0.73 SRC (0.48) SRCABL1EGFRABL2CDK1
SCHEMBL6041054 0.73 SRC (0.67) SRCABL1EGFRABL2CDK1
SCHEMBL8820786 0.71 SRC (0.65) SRCABL1EGFRABL2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO disclosed