SCHEMBL7836088

SCHEMBL7836088

Nc1ncnc2c1c(-c1cccc(O)c1)cn2-c1cccc(OCCCNCCO)c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.82
EGFR P00533 6/20 0.63
CSK P41240 2/20 0.63
KDR P35968 1/20 0.63
ABL1 P00519 5/20 0.61
ABL2 P42684 5/20 0.61
MPO P05164 1/20 0.60
TPO P07202 1/20 0.60
KCNH2 Q12809 1/20 0.60
CDK1 P06493 3/20 0.57

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
SCHEMBL7842681 0.97 SRC (0.86) SRCEGFRCSKKDRABL1
SCHEMBL7841567 0.91 SRC (0.75) SRCEGFRCSKKDRABL1
SCHEMBL7835317 0.90 SRC (1.00) SRCEGFRCSKKDRABL1
SCHEMBL7845672 0.89 SRC (0.89) SRCEGFRCSKKDRABL1
SCHEMBL7844402 0.86 SRC (0.75) SRCEGFRKDRABL1ABL2
SCHEMBL7835070 0.85 SRC (0.73) SRCEGFRCSKKDRABL1
Dimethylamine SCHEMBL7844416 0.84 SRC (0.76) SRCEGFRABL1ABL2CDK1
SCHEMBL7842183 0.84 SRC (0.70) SRCEGFRCSKKDRABL1
SCHEMBL7835156 0.84 SRC (0.72) SRCEGFRCSKKDRABL1
SCHEMBL7844411 0.84 SRC (0.72) 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