SCHEMBL7005185

SCHEMBL7005185

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 1.00
TEK Q02763 11/20 1.00
KDR P35968 6/20 1.00
SRC P12931 15/20 0.78
EGFR P00533 8/20 0.78
FYN P06241 2/20 0.78
LYN P07948 2/20 0.78
CSK P41240 2/20 0.78
BTK Q06187 2/20 0.78
KDM4E B2RXH2 1/20 0.78
MEN1 O00255 1/20 0.78
RGS12 O14924 1/20 0.78
NPC1 O15118 1/20 0.78
GMNN O75496 1/20 0.78
ALDH1A1 P00352 1/20 0.78
LMNA P02545 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78

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
SCHEMBL23847486 0.89 LCK (0.80) LCKTEKKDRSRCEGFR
SCHEMBL7008990 0.88 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL7009896 0.88 LCK (0.79) LCKTEKKDRSRCEGFR
SCHEMBL29920993 0.88 SRC (1.00) LCKTEKKDRSRCEGFR
SCHEMBL378454 0.88 SRC (1.00) LCKTEKKDRSRCEGFR
SCHEMBL7005187 0.87 LCK (0.85) LCKTEKKDRSRCEGFR
SCHEMBL23834505 0.87 SRC (0.98) LCKTEKKDRSRCEGFR
SCHEMBL24458610 0.86 SRC (0.96) LCKTEKKDRSRCEGFR
SCHEMBL7006001 0.83 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL2072160 0.82 SRC (0.73) 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 5 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 claimed
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