SCHEMBL8820841

SCHEMBL8820841

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.61
MPO P05164 1/20 0.54
TPO P07202 1/20 0.54
KCNH2 Q12809 1/20 0.54
EGFR P00533 7/20 0.47
ABL1 P00519 4/20 0.47
ABL2 P42684 4/20 0.47
CSK P41240 2/20 0.47
CDK1 P06493 2/20 0.47
KDR P35968 4/20 0.45
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.91 SRC (0.50) SRCMPOTPOKCNH2EGFR
SCHEMBL8820786 0.89 SRC (0.65) SRCMPOTPOKCNH2EGFR
SCHEMBL8819569 0.87 SRC (0.56) SRCMPOTPOKCNH2EGFR
SCHEMBL8820771 0.85 SRC (0.49) SRCEGFRABL1ABL2CDK1
SCHEMBL6041054 0.82 SRC (0.67) SRCMPOTPOKCNH2EGFR
SCHEMBL8819645 0.81 SRC (0.47) SRCEGFRABL1ABL2CSK
SCHEMBL7846229 0.80 SRC (0.85) SRCMPOTPOKCNH2EGFR
SCHEMBL8820549 0.79 SRC (0.53) SRCEGFRABL1ABL2CDK1
SCHEMBL8820762 0.78 SRC (0.55) SRCMEN1KMT2A
SCHEMBL8820827 0.77 SRC (0.55) SRCMPOTPOKCNH2EGFR

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