SCHEMBL8819623

SCHEMBL8819623

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.61
ABL1 P00519 6/20 0.61
EGFR P00533 6/20 0.61
ABL2 P42684 6/20 0.61
CDK1 P06493 4/20 0.61
PI4KA P42356 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
KDR P35968 2/20 0.53
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45
MAP4K4 O95819 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL8819907 0.88 SRC (0.61) SRCABL1EGFRABL2CDK1
SCHEMBL8820549 0.87 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL8820820 0.86 SRC (0.48) SRCABL1EGFRABL2CDK1
SCHEMBL8819987 0.86 SRC (0.50) SRCABL1EGFRABL2CDK1
SCHEMBL8819665 0.83 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL8820527 0.83 PI4KA (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL6041054 0.83 SRC (0.67) SRCABL1EGFRABL2CDK1
SCHEMBL8820786 0.81 SRC (0.65) SRCABL1EGFRABL2CDK1
SCHEMBL8820855 0.81 SRC (0.53) SRCABL1EGFRABL2CDK1
SCHEMBL8819719 0.81 PI4KA (0.48) 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 2 patents. 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
WO-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO disclosed