SCHEMBL7009649

SCHEMBL7009649

CC(=O)Nc1cccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEK Q02763 13/20 0.72
LCK P06239 13/20 0.72
KDR P35968 11/20 0.72
SRC P12931 8/20 0.69
FLT1 P17948 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PTBP1 P26599 1/20 0.46
KMT2A Q03164 1/20 0.46
BTK Q06187 1/20 0.46
HCK P08631 2/20 0.46
FLT3 P36888 2/20 0.46

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
SCHEMBL7006180 0.91 TEK (0.72) TEKLCKKDRSRCFLT3
SCHEMBL7008419 0.85 LCK (0.83) TEKLCKKDRSRCLMNA
SCHEMBL7009429 0.84 LCK (0.75) TEKLCKKDRSRCLMNA
SCHEMBL7008467 0.84 LCK (1.00) TEKLCKKDRSRCLMNA
SCHEMBL7006962 0.83 LCK (0.83) TEKLCKKDRSRCLMNA
SCHEMBL7011559 0.83 LCK (0.84) TEKLCKKDRSRCLMNA
SCHEMBL6861193 0.82 LCK (1.00) TEKLCKKDRSRCLMNA
SCHEMBL7006502 0.82 LCK (0.81) TEKLCKKDRSRCLMNA
SCHEMBL7013132 0.81 KDR (0.69) TEKLCKKDRSRCBTK
SCHEMBL7005163 0.80 SRC (0.81) TEKLCKKDRSRCLMNA

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 3 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-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