SCHEMBL7848142

SCHEMBL7848142

COc1ccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 1.00
EGFR P00533 10/20 1.00
ABL1 P00519 8/20 1.00
ABL2 P42684 8/20 1.00
KDR P35968 6/20 1.00
CDK1 P06493 6/20 0.77
TP53 P04637 1/20 0.62
MAPT P10636 2/20 0.60
PKM P14618 1/20 0.60
LCK P06239 1/20 0.60
TEK Q02763 1/20 0.60
PDE11A Q9HCR9 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL7844216 0.89 SRC (0.83) SRCEGFRABL1ABL2KDR
SCHEMBL7848082 0.89 SRC (0.80) SRCEGFRABL1ABL2KDR
SCHEMBL15934520 0.89 SRC (0.80) SRCEGFRABL1ABL2KDR
SCHEMBL7834901 0.87 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL31061695 0.87 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL5936176 0.87 SRC (1.00) SRCEGFRABL1ABL2KDR
SCHEMBL20351594 0.86 SRC (0.86) SRCEGFRABL1ABL2KDR
SCHEMBL7833880 0.86 SRC (0.75) SRCEGFRABL1ABL2KDR
SCHEMBL20912242 0.85 SRC (0.76) SRCEGFRABL1ABL2KDR
SCHEMBL7842849 0.85 SRC (0.73) 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