SCHEMBL8819645

SCHEMBL8819645

Nc1ncnc2c(-c3ccc(OCCOCc4ccccc4)cc3)cn(-c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.47
EGFR P00533 8/20 0.47
ABL1 P00519 6/20 0.47
ABL2 P42684 6/20 0.47
KDR P35968 5/20 0.47
CDK1 P06493 5/20 0.44
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
PRMT5 O14744 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
CSK P41240 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8820532 0.87 SRC (0.50) SRCEGFRABL1ABL2KDR
SCHEMBL8820771 0.86 SRC (0.49) SRCEGFRABL1ABL2KDR
SCHEMBL8820841 0.81 SRC (0.61) SRCEGFRABL1ABL2KDR
SCHEMBL8820762 0.79 SRC (0.55) SRC
SCHEMBL8820827 0.78 SRC (0.55) SRCEGFRABL1ABL2KDR
SCHEMBL8820776 0.77 SRC (0.48) SRCEGFRABL1ABL2KDR
SCHEMBL8819907 0.76 SRC (0.61) SRCEGFRABL1ABL2KDR
SCHEMBL8820539 0.76 SRC (0.50) SRCEGFRABL1ABL2KDR
SCHEMBL8820549 0.76 SRC (0.53) SRCEGFRABL1ABL2KDR
SCHEMBL8820820 0.75 SRC (0.48) SRCEGFRABL1ABL2KDR

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