SCHEMBL7009573

SCHEMBL7009573

COc1ccccc1C(=O)Nc1ccc(-c2cn(C(C)(C)C)c3ncnc(N)c23)cc1O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.57
LCK P06239 8/20 0.50
KDR P35968 6/20 0.50
TEK Q02763 6/20 0.50
SRC P12931 4/20 0.50
BTK Q06187 2/20 0.49
EGFR P00533 1/20 0.49

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 0.84 SRC (0.62) RETLCKKDRTEKSRC
SCHEMBL7009817 0.82 SRC (0.60) RETLCKKDRTEKSRC
SCHEMBL7010062 0.81 LCK (0.63) RETLCKKDRTEKSRC
SCHEMBL7009724 0.75 LCK (0.74) LCKKDRTEKSRCBTK
SCHEMBL7013820 0.73 KDR (0.78) LCKKDRTEKSRCBTK
SCHEMBL7004302 0.73 TEK (0.71) LCKKDRTEKSRCEGFR
SCHEMBL7007965 0.73 TEK (0.50) LCKKDRTEKSRCEGFR
SCHEMBL7006212 0.73 KDR (0.74) LCKKDRTEKSRCBTK
SCHEMBL7010640 0.73 LCK (0.70) LCKKDRTEKSRCBTK
SCHEMBL7010707 0.73 TEK (0.77) LCKKDRTEKSRCEGFR

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 4 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
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