SCHEMBL7010666

SCHEMBL7010666

CC(C)(C)n1cc(-c2ccc(Oc3cccc(O)c3)c(O)c2)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.65
KDR P35968 8/20 0.65
TEK Q02763 7/20 0.65
SRC P12931 11/20 0.62
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
PRKDC P78527 2/20 0.50
EGFR P00533 7/20 0.46
ABL1 P00519 6/20 0.46
ABL2 P42684 5/20 0.46
RET P07949 2/20 0.46
CDK1 P06493 1/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
NPM1 P06748 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 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
SCHEMBL7009724 0.92 LCK (0.74) LCKKDRTEKSRCPIK3CD
SCHEMBL7007563 0.92 KDR (0.62) LCKKDRTEKSRCPIK3CD
SCHEMBL7010611 0.91 LCK (0.63) LCKKDRTEKSRCPIK3CD
SCHEMBL8145098 0.89 KDR (0.61) LCKKDRTEKSRCPIK3CD
SCHEMBL7008419 0.88 LCK (0.83) LCKKDRTEKSRCPIK3CD
SCHEMBL7009552 0.83 LCK (0.65) LCKKDRTEKSRCEGFR
SCHEMBL7007913 0.83 KDR (0.65) LCKKDRTEKSRCPIK3CD
SCHEMBL7010707 0.82 TEK (0.77) LCKKDRTEKSRCEGFR
SCHEMBL7012365 0.82 KDR (0.64) LCKKDRTEKSRCEGFR
SCHEMBL7007028 0.82 KDR (0.64) 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