SCHEMBL7007668

SCHEMBL7007668

CC(C)(C)n1cc(-c2ccccc2Oc2ccccc2)c2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.73
TEK Q02763 11/20 0.73
KDR P35968 9/20 0.73
SRC P12931 8/20 0.73
EGFR P00533 2/20 0.56
RET P07949 3/20 0.49
NUDT14 O95848 1/20 0.46
NUDT5 Q9UKK9 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL8133032 0.91 LCK (0.71) LCKTEKKDRSRCEGFR
SCHEMBL24133438 0.87 LCK (0.70) LCKTEKKDRSRCEGFR
SCHEMBL7009027 0.85 LCK (0.72) LCKTEKKDRSRCEGFR
SCHEMBL6861193 0.85 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL7012948 0.83 LCK (0.75) LCKTEKKDRSRCEGFR
SCHEMBL7012315 0.82 TEK (0.78) LCKTEKKDRSRCEGFR
SCHEMBL7013820 0.82 KDR (0.78) LCKTEKKDRSRCEGFR
SCHEMBL7003841 0.82 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7008614 0.82 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7012650 0.82 LCK (0.74) 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