SCHEMBL7005378

SCHEMBL7005378

CNc1ccc(Nc2cc[c]cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
KDM1A O60341 1/20 0.38
APP P05067 4/20 0.38
HSD17B10 Q99714 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALOX15 P16050 3/20 0.38
MAPK1 P28482 2/20 0.38
ALOX12 P18054 2/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PTGS2 P35354 1/20 0.38
HTR2B P41595 1/20 0.38
RECQL P46063 4/20 0.37
THRB P10828 3/20 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
SCHEMBL21455 0.89
Hydrochloric Acid SCHEMBL8724212 0.87
SCHEMBL7338618 0.84 TSHR (0.56) TSHRALDH1A1MAPTADRA2AADRA2B
SCHEMBL12467721 0.84 HSD17B10 (0.44) TSHRALDH1A1MAPTADRA2AADRA2B
SCHEMBL147652 0.80 HPGD (0.58) ALDH1A1MAPTKDM1AAPPTDP1
SCHEMBL9274501 0.77 ALDH1A1 (0.68) TSHRALDH1A1MAPTHSD17B10TDP1
SCHEMBL5539876 0.76 DHODH (0.42) TSHRMAPTMAPK1NPC1RAB9A
SCHEMBL7009496 0.76 ALDH1A1 (0.42) TSHRALDH1A1MAPTADRA2AADRA2B
SCHEMBL5542327 0.75 MAPT (0.42) TSHRALDH1A1MAPTHSD17B10TDP1
SCHEMBL5543171 0.75 RAPGEF4 (0.42) TSHRALDH1A1MAPTAPPHSD17B10

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