SCHEMBL7845446

SCHEMBL7845446

COc1ccc(-c2cn(-c3cccc(OCCn4ccnc4)c3)c3ncnc(N)c23)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.80
ABL1 P00519 6/20 0.61
EGFR P00533 6/20 0.61
ABL2 P42684 6/20 0.61
KDR P35968 1/20 0.61
CDK1 P06493 3/20 0.57

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
SCHEMBL7836043 0.93 SRC (0.89) SRCABL1EGFRABL2CDK1
SCHEMBL7846964 0.91 SRC (0.70) SRCABL1EGFRABL2KDR
SCHEMBL7846544 0.91 SRC (0.74) SRCABL1EGFRABL2KDR
SCHEMBL7842886 0.89 SRC (0.69) SRCABL1EGFRABL2KDR
SCHEMBL7833796 0.89 SRC (0.71) SRCABL1EGFRABL2KDR
SCHEMBL7844214 0.89 SRC (0.71) SRCABL1EGFRABL2KDR
SCHEMBL7835012 0.87 SRC (0.64) SRCABL1EGFRABL2KDR
SCHEMBL7842432 0.87 SRC (0.73) SRCABL1EGFRABL2KDR
SCHEMBL7845253 0.87 SRC (0.69) SRCABL1EGFRABL2KDR
SCHEMBL7844695 0.87 SRC (0.68) SRCABL1EGFRABL2KDR

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