SCHEMBL7834985

SCHEMBL7834985

Nc1ncnc2c1c(-c1cccc(Cl)c1)cn2-c1cccc(OCCCl)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.72
ABL1 P00519 5/20 0.72
EGFR P00533 5/20 0.72
ABL2 P42684 5/20 0.72
KDR P35968 2/20 0.72
CDK1 P06493 4/20 0.59
RIPK2 O43353 1/20 0.52
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL7846118 0.92 SRC (0.73) SRCABL1EGFRABL2KDR
SCHEMBL7845986 0.91 SRC (0.67) SRCABL1EGFRABL2KDR
SCHEMBL7845797 0.89 SRC (0.77) SRCABL1EGFRABL2KDR
SCHEMBL7844806 0.87 SRC (0.64) SRCABL1EGFRABL2KDR
SCHEMBL7836368 0.85 SRC (0.72) SRCABL1EGFRABL2KDR
SCHEMBL7844427 0.84 SRC (1.00) SRCABL1EGFRABL2KDR
SCHEMBL7845009 0.83 SRC (0.64) SRCABL1EGFRABL2KDR
SCHEMBL7842598 0.83 SRC (0.62) SRCABL1EGFRABL2KDR
SCHEMBL7835156 0.82 SRC (0.72) SRCABL1EGFRABL2KDR
SCHEMBL7844437 0.82 SRC (0.62) 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