SCHEMBL7846812

SCHEMBL7846812

Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(CSCCO)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.74
EGFR P00533 15/20 0.74
ABL1 P00519 12/20 0.74
ABL2 P42684 12/20 0.74
KDR P35968 6/20 0.74
CDK1 P06493 5/20 0.74
CSK P41240 2/20 0.68

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
SCHEMBL7844673 0.89 SRC (0.76) SRCEGFRABL1ABL2KDR
SCHEMBL7847078 0.85 SRC (0.82) SRCEGFRABL1ABL2KDR
SCHEMBL7835361 0.85 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL7844978 0.85 SRC (0.70) SRCEGFRABL1ABL2KDR
SCHEMBL7848125 0.83 SRC (0.74) SRCEGFRABL1ABL2KDR
SCHEMBL7847946 0.82 SRC (0.80) SRCEGFRABL1ABL2KDR
SCHEMBL7845704 0.81 SRC (0.84) SRCEGFRABL1ABL2KDR
SCHEMBL31061695 0.81 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL5936176 0.81 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL7847868 0.81 SRC (0.67) SRCEGFRABL1ABL2KDR

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