SCHEMBL8820532

SCHEMBL8820532

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.50
EGFR P00533 8/20 0.50
ABL1 P00519 6/20 0.50
ABL2 P42684 6/20 0.50
KDR P35968 5/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CDK1 P06493 5/20 0.46
LCK P06239 2/20 0.43
TEK Q02763 1/20 0.43
MPO P05164 1/20 0.42
TPO P07202 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
CSK P41240 2/20 0.41

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
SCHEMBL8820771 0.92 SRC (0.49) SRCEGFRABL1ABL2KDR
SCHEMBL8820841 0.91 SRC (0.61) SRCEGFRABL1ABL2KDR
SCHEMBL8820549 0.87 SRC (0.53) SRCEGFRABL1ABL2KDR
SCHEMBL8819645 0.87 SRC (0.47) SRCEGFRABL1ABL2KDR
SCHEMBL8820762 0.84 SRC (0.55) SRCMEN1KMT2AALDH1A1
SCHEMBL8820827 0.83 SRC (0.55) SRCEGFRABL1ABL2KDR
SCHEMBL8820776 0.82 SRC (0.48) SRCEGFRABL1ABL2KDR
SCHEMBL8819907 0.81 SRC (0.61) SRCEGFRABL1ABL2KDR
SCHEMBL8820539 0.81 SRC (0.50) SRCEGFRABL1ABL2KDR
SCHEMBL8820820 0.80 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