SCHEMBL7010640

SCHEMBL7010640

CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)c(C(N)=O)c2)c2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.70
TEK Q02763 13/20 0.70
KDR P35968 12/20 0.70
SRC P12931 10/20 0.70
EGFR P00533 2/20 0.47
ABL1 P00519 1/20 0.47
CDK1 P06493 1/20 0.47
ABL2 P42684 1/20 0.47
BTK Q06187 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
SCHEMBL7007578 0.90 KDR (0.59) LCKTEKKDRSRCEGFR
SCHEMBL7004302 0.90 TEK (0.71) LCKTEKKDRSRCEGFR
SCHEMBL7011523 0.89 KDR (0.63) LCKTEKKDRSRCEGFR
SCHEMBL7009724 0.87 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7012948 0.86 LCK (0.75) LCKTEKKDRSRCEGFR
SCHEMBL7006212 0.85 KDR (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7012650 0.85 LCK (0.74) LCKTEKKDRSRCEGFR
SCHEMBL7005544 0.84 LCK (0.68) LCKTEKKDRSRCEGFR
SCHEMBL6861193 0.83 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL7012725 0.82 LCK (0.58) 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