SCHEMBL7010062

SCHEMBL7010062

CC(C)(C)n1cc(-c2ccc(NC(=O)c3ccc(Cl)cc3)c(O)c2)c2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.63
KDR P35968 7/20 0.63
TEK Q02763 6/20 0.63
SRC P12931 6/20 0.63
RET P07949 12/20 0.46
DAPK3 O43293 1/20 0.41
RIPK2 O43353 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
CYP1A2 P05177 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
PDGFRB P09619 1/20 0.41
FGR P09769 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
EPHB2 P29323 1/20 0.41

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
SCHEMBL7005293 0.92 SRC (0.62) LCKKDRTEKSRCRET
SCHEMBL7005965 0.82 EGFR (0.57) LCKKDRTEKSRCRET
SCHEMBL7009573 0.81 RET (0.57) LCKKDRTEKSRCRET
SCHEMBL7009817 0.80 SRC (0.60) LCKKDRTEKSRCRET
SCHEMBL3787827 0.79 KDR (1.00) LCKKDRTEKSRCRET
SCHEMBL7008291 0.76 CCR9 (0.51) LCKKDRTEKSRC
SCHEMBL13020146 0.73 SRC (0.73) LCKKDRTEKSRCRET
SCHEMBL7006750 0.73 SRC (0.61) LCKKDRTEKSRCRET
SCHEMBL7007965 0.72 TEK (0.50) LCKKDRTEKSRCABL1
SCHEMBL7007563 0.72 KDR (0.62) LCKKDRTEKSRCRET

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 disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed