SCHEMBL7008098

SCHEMBL7008098

CC(=O)N(C)c1ccc(Oc2cc[c]cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SRD5A1 P18405 5/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.41
TSPO P30536 1/20 0.41
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39

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
SCHEMBL486173 0.83 SMN1; SMN2 (0.47) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL2264084 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTMAPTLMNA
SCHEMBL14341655 0.77 SMN1; SMN2 (0.61) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL2537515 0.76 ALDH1A1 (0.71) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL2537514 0.74 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL8970607 0.74 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL3832407 0.71 ALDH1A1 (0.77) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL1557549 0.71 SMN1; SMN2 (0.54) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL6783972 0.71 SMN1; SMN2 (0.58) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL11505253 0.71 HPGD (0.52) SMN1; SMN2POLBALDH1A1HTTMAPT

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 8 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-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
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