SCHEMBL8819650

SCHEMBL8819650

Nc1ncnc2c(-c3ccc(OCCn4ccnc4)cc3)cn(-c3cccc(O)c3)c12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.55
TBXAS1 P24557 10/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8820842 0.90 SRC (0.55) SRCTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL8820762 0.89 SRC (0.55) SRCTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL8820776 0.85 SRC (0.48) SRC
SCHEMBL7846964 0.79 SRC (0.70) SRCTBXAS1
SCHEMBL7842432 0.79 SRC (0.73) SRC
SCHEMBL7841904 0.79 SRC (0.81) SRC
SCHEMBL8819665 0.77 SRC (0.53) SRC
SCHEMBL7845446 0.76 SRC (0.80) SRC
SCHEMBL8820549 0.76 SRC (0.53) SRC
SCHEMBL7834761 0.76 SRC (0.73) SRCTBXAS1

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