SCHEMBL7845672

SCHEMBL7845672

COc1cccc(-c2cn(-c3cccc(OCCNCCO)c3)c3ncnc(N)c23)c1

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.89
EGFR P00533 7/20 0.75
ABL1 P00519 6/20 0.75
ABL2 P42684 6/20 0.75
CDK1 P06493 2/20 0.71
KDR P35968 1/20 0.62
CSK P41240 1/20 0.62
MPO P05164 1/20 0.61
TPO P07202 1/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL7847645 0.94 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7841567 0.92 SRC (0.75) SRCEGFRABL1ABL2CDK1
SCHEMBL7847554 0.92 SRC (0.80) SRCEGFRABL1ABL2CDK1
SCHEMBL7842681 0.91 SRC (0.86) SRCEGFRABL1ABL2CDK1
SCHEMBL7843353 0.90 SRC (0.78) SRCEGFRABL1ABL2CDK1
SCHEMBL7847736 0.89 SRC (0.85) SRCEGFRABL1ABL2CDK1
SCHEMBL7836088 0.89 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL29802962 0.87 SRC (0.88) SRCEGFRABL1ABL2CDK1
SCHEMBL677641 0.87 SRC (0.88) SRCEGFRABL1ABL2CDK1
SCHEMBL7844821 0.86 SRC (0.78) SRCEGFRABL1ABL2CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed