SCHEMBL7845787

SCHEMBL7845787

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

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.84
EGFR P00533 15/20 0.84
ABL1 P00519 11/20 0.84
ABL2 P42684 11/20 0.84
KDR P35968 6/20 0.84
CDK1 P06493 6/20 0.84
CSK P41240 2/20 0.61

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
SCHEMBL7845704 0.95 SRC (0.84) SRCEGFRABL1ABL2KDR
SCHEMBL31061695 0.92 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL5936176 0.92 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL20351594 0.90 SRC (0.86) SRCEGFRABL1ABL2KDR
SCHEMBL7845957 0.88 SRC (0.66) SRCEGFRABL1ABL2KDR
SCHEMBL7847551 0.88 SRC (0.91) SRCEGFRABL1ABL2KDR
SCHEMBL7842356 0.88 SRC (0.82) SRCEGFRABL1ABL2KDR
SCHEMBL7841486 0.86 SRC (0.78) SRCEGFRABL1ABL2KDR
SCHEMBL7843715 0.86 SRC (0.78) SRCEGFRABL1ABL2KDR
SCHEMBL15934520 0.86 SRC (0.80) 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 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