SCHEMBL7844827

SCHEMBL7844827

Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCCN2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.59
EGFR P00533 8/20 0.59
ABL1 P00519 7/20 0.59
ABL2 P42684 7/20 0.59
CDK1 P06493 5/20 0.59
KDR P35968 4/20 0.59
CSK P41240 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MPO P05164 1/20 0.51
TPO P07202 1/20 0.51
KCNH2 Q12809 1/20 0.51
LYN P07948 1/20 0.49
LMNA P02545 1/20 0.49

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 0.91 SRC (0.58) SRCEGFRABL1ABL2CDK1
SCHEMBL7844800 0.84 SRC (0.73) SRCEGFRABL1ABL2CDK1
SCHEMBL7848781 0.83 SRC (0.71) SRCEGFRABL1ABL2CDK1
SCHEMBL7842382 0.83 SRC (0.72) SRCEGFRABL1ABL2CDK1
SCHEMBL7844053 0.82 SRC (0.70) SRCEGFRABL1ABL2CDK1
SCHEMBL7845043 0.82 SRC (0.70) SRCEGFRABL1ABL2CDK1
SCHEMBL7043809 0.81 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL7844313 0.80 SRC (0.58) SRCEGFRABL1ABL2CDK1
SCHEMBL7847466 0.80 SRC (0.73) SRCEGFRABL1ABL2CDK1
SCHEMBL7844861 0.80 SRC (0.73) 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