SCHEMBL7005544

SCHEMBL7005544

CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2C(N)=O)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.68
TEK Q02763 13/20 0.68
KDR P35968 12/20 0.68
SRC P12931 7/20 0.68
EGFR P00533 1/20 0.48
NUDT14 O95848 1/20 0.44
NUDT5 Q9UKK9 1/20 0.44
BTK Q06187 1/20 0.44
HCK P08631 2/20 0.43

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
SCHEMBL7009137 0.91 KDR (0.58) LCKTEKKDRSRCEGFR
SCHEMBL7008265 0.88 LCK (0.62) LCKTEKKDRSRCEGFR
SCHEMBL7008614 0.87 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7003841 0.85 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7009839 0.84 LCK (0.73) LCKTEKKDRSRCEGFR
SCHEMBL7010640 0.84 LCK (0.70) LCKTEKKDRSRCEGFR
SCHEMBL7009027 0.83 LCK (0.72) LCKTEKKDRSRCEGFR
SCHEMBL7009429 0.82 LCK (0.75) LCKTEKKDRSRCEGFR
SCHEMBL6861193 0.81 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL7004302 0.81 TEK (0.71) LCKTEKKDRSRCEGFR

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