SCHEMBL7844095

SCHEMBL7844095

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.72
ABL1 P00519 7/20 0.72
EGFR P00533 7/20 0.72
ABL2 P42684 7/20 0.72
KDR P35968 2/20 0.72
CDK1 P06493 4/20 0.66

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
SCHEMBL7842849 0.93 SRC (0.73) SRCABL1EGFRABL2KDR
SCHEMBL7844821 0.92 SRC (0.78) SRCABL1EGFRABL2KDR
SCHEMBL7845953 0.90 SRC (0.62) SRCABL1EGFRABL2KDR
SCHEMBL7847602 0.90 SRC (0.68) SRCABL1EGFRABL2KDR
SCHEMBL7835919 0.87 SRC (0.76) SRCABL1EGFRABL2KDR
SCHEMBL7847017 0.87 SRC (0.77) SRCABL1EGFRABL2KDR
SCHEMBL7847554 0.86 SRC (0.80) SRCABL1EGFRABL2KDR
SCHEMBL7842337 0.85 SRC (0.61) SRCABL1EGFRABL2KDR
SCHEMBL7844402 0.85 SRC (0.75) SRCABL1EGFRABL2KDR
SCHEMBL7845446 0.85 SRC (0.80) 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 4 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
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US 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