SCHEMBL8820786

SCHEMBL8820786

COc1cccc(-n2cc(-c3ccc(OCCNCCO)cc3)c3ncnc(N)c32)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.65
EGFR P00533 6/20 0.51
ABL1 P00519 5/20 0.51
ABL2 P42684 5/20 0.51
MPO P05164 1/20 0.49
TPO P07202 1/20 0.49
KCNH2 Q12809 1/20 0.49
CDK1 P06493 2/20 0.47
TSHR P16473 1/20 0.44
KDR P35968 1/20 0.43
CSK P41240 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

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
SCHEMBL6041054 0.94 SRC (0.67) SRCEGFRABL1ABL2MPO
SCHEMBL8820549 0.92 SRC (0.53) SRCEGFRABL1ABL2CDK1
SCHEMBL8820841 0.89 SRC (0.61) SRCEGFRABL1ABL2MPO
SCHEMBL8820820 0.87 SRC (0.48) SRCEGFRABL1ABL2CDK1
SCHEMBL8820855 0.85 SRC (0.53) SRCEGFRABL1ABL2CDK1
SCHEMBL8819623 0.81 SRC (0.61) SRCEGFRABL1ABL2CDK1
SCHEMBL8819569 0.81 SRC (0.56) SRCEGFRABL1ABL2MPO
SCHEMBL7845672 0.80 SRC (0.89) SRCEGFRABL1ABL2MPO
SCHEMBL8820532 0.80 SRC (0.50) SRCEGFRABL1ABL2MPO
SCHEMBL7847645 0.79 SRC (1.00) SRCEGFRABL1ABL2MPO

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 claimed