SCHEMBL7007965

SCHEMBL7007965

CC(C)(C)n1cc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(O)c2)c2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.50
LCK P06239 6/20 0.50
KDR P35968 6/20 0.50
SRC P12931 5/20 0.50
EGFR P00533 1/20 0.45
EIF2AK3 Q9NZJ5 9/20 0.44
PIK3CD O00329 1/20 0.42
ABL1 P00519 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 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
SCHEMBL7008291 0.87 CCR9 (0.51) TEKLCKKDRSRCEIF2AK3
SCHEMBL7009817 0.77 SRC (0.60) TEKLCKKDRSRCEGFR
SCHEMBL7005545 0.74 SRC (0.69) TEKLCKKDRSRCEGFR
SCHEMBL7009573 0.73 RET (0.57) TEKLCKKDRSRCEGFR
SCHEMBL7005208 0.73 TEK (0.55) TEKLCKKDRSRCEGFR
SCHEMBL7005293 0.73 SRC (0.62) TEKLCKKDRSRC
SCHEMBL7009724 0.73 LCK (0.74) TEKLCKKDRSRCEGFR
SCHEMBL7006736 0.73 TEK (0.65) TEKLCKKDRSRCEGFR
SCHEMBL7010062 0.72 LCK (0.63) TEKLCKKDRSRCEGFR
SCHEMBL21124196 0.72 EIF2AK3 (0.79) EIF2AK3

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