SCHEMBL7844313

SCHEMBL7844313

Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.58
EGFR P00533 9/20 0.58
ABL1 P00519 7/20 0.58
ABL2 P42684 7/20 0.58
CDK1 P06493 5/20 0.58
KDR P35968 5/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
CSK P41240 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.50
LYN P07948 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
SCHEMBL7845881 0.89 SRC (0.58) SRCEGFRABL1ABL2CDK1
SCHEMBL7835156 0.84 SRC (0.72) SRCEGFRABL1ABL2CDK1
SCHEMBL7847602 0.83 SRC (0.68) SRCEGFRABL1ABL2CDK1
SCHEMBL7845986 0.83 SRC (0.67) SRCEGFRABL1ABL2CDK1
SCHEMBL7848389 0.83 SRC (0.67) SRCEGFRABL1ABL2CDK1
SCHEMBL7842183 0.83 SRC (0.70) SRCEGFRABL1ABL2CDK1
SCHEMBL7845816 0.80 SRC (0.76) SRCEGFRABL1ABL2CDK1
SCHEMBL7836066 0.80 SRC (0.71) SRCEGFRABL1ABL2CDK1
SCHEMBL7843660 0.80 SRC (0.65) SRCEGFRABL1ABL2CDK1
SCHEMBL7846544 0.80 SRC (0.74) SRCEGFRABL1ABL2CDK1

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