SCHEMBL7842432

SCHEMBL7842432

Nc1ncnc2c1c(-c1cccc(O)c1)cn2-c1cccc(OCCn2ccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.73
ABL1 P00519 4/20 0.54
EGFR P00533 4/20 0.54
ABL2 P42684 4/20 0.54
CDK1 P06493 3/20 0.54
KDR P35968 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PRKDC P78527 1/20 0.48

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
SCHEMBL7845619 0.96 SRC (0.68) SRCABL1EGFRABL2CDK1
SCHEMBL7841904 0.93 SRC (0.81) SRCABL1EGFRABL2CDK1
SCHEMBL7846964 0.92 SRC (0.70) SRCABL1EGFRABL2CDK1
SCHEMBL7846544 0.92 SRC (0.74) SRCABL1EGFRABL2CDK1
SCHEMBL7836368 0.91 SRC (0.72) SRCABL1EGFRABL2CDK1
SCHEMBL7836043 0.91 SRC (0.89) SRCABL1EGFRABL2CDK1
SCHEMBL7845253 0.89 SRC (0.69) SRCABL1EGFRABL2CDK1
SCHEMBL7844695 0.89 SRC (0.68) SRCABL1EGFRABL2CDK1
SCHEMBL7834123 0.89 SRC (0.73) SRCABL1EGFRABL2CDK1
SCHEMBL7844214 0.88 SRC (0.71) SRCABL1EGFRABL2CDK1

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