SCHEMBL7009896

SCHEMBL7009896

COc1ccccc1Oc1ccc(-c2cn(C3CCCC3)c3ncnc(Cl)c23)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.79
TEK Q02763 10/20 0.79
KDR P35968 5/20 0.79
SRC P12931 13/20 0.60
EGFR P00533 8/20 0.60
FYN P06241 2/20 0.60
LYN P07948 2/20 0.60
CSK P41240 2/20 0.60
BTK Q06187 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
RGS12 O14924 1/20 0.60
NPC1 O15118 1/20 0.60
GMNN O75496 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60

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
SCHEMBL7005185 0.88 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL7009904 0.87 LCK (0.66) LCKTEKKDRSRCEGFR
SCHEMBL7009223 0.83 LCK (0.77) LCKTEKKDRSRCEGFR
SCHEMBL2074179 0.80 SRC (0.59) LCKTEKKDRSRCEGFR
SCHEMBL23834484 0.78 TEK (0.51) LCKTEKKDRSRCEGFR
SCHEMBL30054350 0.78 TEK (0.51) LCKTEKKDRSRCEGFR
SCHEMBL2075445 0.78 SRC (0.63) LCKTEKKDRSRCEGFR
SCHEMBL23847486 0.77 LCK (0.80) LCKTEKKDRSRCEGFR
SCHEMBL6872418 0.77 HCK (0.71) LCKTEKKDRSRCEGFR
SCHEMBL7008990 0.77 LCK (1.00) LCKTEKKDRSRCEGFR

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-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed