SCHEMBL7006747

SCHEMBL7006747

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 1.00
LCK P06239 11/20 1.00
TEK Q02763 10/20 1.00
KDR P35968 7/20 0.64
BTK Q06187 7/20 0.61
HCK P08631 3/20 0.61
FYN P06241 2/20 0.60
LYN P07948 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
EGFR P00533 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
SCHEMBL2075215 0.91 TEK (0.83) SRCLCKTEKKDRBTK
Hydrochloric Acid SCHEMBL6459349 0.90 SRC (0.98) SRCLCKTEKKDRBTK
SCHEMBL7005291 0.88 SRC (0.78) SRCLCKTEKKDRBTK
SCHEMBL6464719 0.85 SRC (0.74) SRCLCKTEKKDRBTK
Hydrochloric Acid SCHEMBL6461433 0.85 SRC (0.80) SRCLCKTEKKDRBTK
SCHEMBL7007367 0.84 SRC (0.73) SRCLCKTEKKDRBTK
SCHEMBL7010960 0.84 LCK (0.72) SRCLCKTEKKDRBTK
SCHEMBL30569256 0.84 SRC (0.72) SRCLCKTEKKDREGFR
SCHEMBL28667962 0.84 SRC (0.72) SRCLCKTEKKDREGFR
SCHEMBL7005521 0.83 LCK (0.72) SRCLCKTEKKDRBTK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN claimed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN claimed
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN disclosed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN 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