SCHEMBL7008104

SCHEMBL7008104

O=C(O)c1cc(Oc2cc[c]cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
DTYMK P23919 1/20 0.50
KDM4E B2RXH2 1/20 0.45
HPSE Q9Y251 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
POLB P06746 1/20 0.41
SRD5A2 P31213 1/20 0.41
CASP6 P55212 1/20 0.41
SIRT6 Q8N6T7 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3889423 0.87 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11282911 0.85 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10976077 0.85 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3890179 0.84 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6186809 0.81 GPR35 (0.49) MEN1KMT2ATDP1KDM4EPOLB
SCHEMBL9768812 0.81 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11272985 0.81 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11147168 0.81 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11625436 0.80 POLB (0.61) MEN1KMT2ATDP1KDM4EHPSE
SCHEMBL1075103 0.79 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX

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