SCHEMBL7008291

SCHEMBL7008291

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.51
SRC P12931 3/20 0.50
TEK Q02763 7/20 0.49
LCK P06239 6/20 0.49
KDR P35968 6/20 0.49
HSD17B2 P37059 3/20 0.48
EIF2AK3 Q9NZJ5 2/20 0.46
UQCRB P14927 2/20 0.46
PIK3CD O00329 1/20 0.42

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
SCHEMBL7007965 0.87 TEK (0.50) SRCTEKLCKKDREIF2AK3
SCHEMBL7005208 0.85 TEK (0.55) CCR9SRCTEKLCKKDR
SCHEMBL7005293 0.77 SRC (0.62) SRCTEKLCKKDR
SCHEMBL7010062 0.76 LCK (0.63) SRCTEKLCKKDR
SCHEMBL12934116 0.75 TEK (0.57) SRCTEKLCKKDREIF2AK3
SCHEMBL7006046 0.74 TEK (0.68) SRCTEKLCKKDREIF2AK3
SCHEMBL7009817 0.74 SRC (0.60) SRCTEKLCKKDR
SCHEMBL12934118 0.73 SRC (0.56) SRCTEKLCKKDREIF2AK3
SCHEMBL12934112 0.73 SRC (0.56) SRCTEKLCKKDREIF2AK3
SCHEMBL12934117 0.73 SRC (0.66) SRCTEKLCKKDR

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 2 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 disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed