SCHEMBL7006046

SCHEMBL7006046

COc1cc(-c2cn(C3CCCC3)c3ncnc(N)c23)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.68
SRC P12931 7/20 0.55
ABL1 P00519 5/20 0.55
EGFR P00533 5/20 0.55
ABL2 P42684 5/20 0.55
LCK P06239 3/20 0.53
KDR P35968 2/20 0.53
EIF2AK3 Q9NZJ5 8/20 0.53
RIPK2 O43353 2/20 0.49
FLT3 P36888 2/20 0.48
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
INSR P06213 1/20 0.48
NPM1 P06748 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
IGF1R P08069 1/20 0.48
MET P08581 1/20 0.48
ROS1 P08922 1/20 0.48

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
SCHEMBL2072174 0.93 TEK (0.67) TEKSRCABL1EGFRABL2
SCHEMBL12934114 0.91 TEK (0.71) TEKSRCABL1EGFRABL2
SCHEMBL12934111 0.91 TEK (0.71) TEKSRCABL1EGFRABL2
SCHEMBL12934120 0.91 TEK (0.70) TEKSRCABL1EGFRABL2
SCHEMBL2075286 0.90 TEK (0.81) TEKSRCABL1EGFRABL2
SCHEMBL7005208 0.90 TEK (0.55) TEKSRCABL1EGFRABL2
SCHEMBL2074229 0.89 TEK (0.65) TEKSRCABL1EGFRABL2
SCHEMBL12934124 0.88 TEK (0.69) TEKSRCABL1EGFRABL2
SCHEMBL12934119 0.88 TEK (0.67) TEKSRCABL1EGFRABL2
SCHEMBL2075149 0.88 TEK (0.67) TEKSRCABL1EGFRABL2

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 5 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
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