SCHEMBL7004369

SCHEMBL7004369

CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEK Q02763 12/20 1.00
LCK P06239 12/20 1.00
KDR P35968 12/20 1.00
SRC P12931 12/20 0.81
ABL1 P00519 3/20 0.51
EGFR P00533 3/20 0.51
ABL2 P42684 3/20 0.51
RET P07949 1/20 0.51

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
SCHEMBL7007092 0.91 TEK (1.00) TEKLCKKDRSRCABL1
SCHEMBL7008419 0.90 LCK (0.83) TEKLCKKDRSRCABL1
SCHEMBL6861193 0.89 LCK (1.00) TEKLCKKDRSRCABL1
SCHEMBL7007353 0.89 KDR (1.00) TEKLCKKDRSRCABL1
SCHEMBL7010707 0.86 TEK (0.77) TEKLCKKDRSRCABL1
SCHEMBL7008467 0.84 LCK (1.00) TEKLCKKDRSRCEGFR
SCHEMBL7006180 0.84 TEK (0.72) TEKLCKKDRSRCRET
SCHEMBL7006962 0.84 LCK (0.83) TEKLCKKDRSRCEGFR
SCHEMBL7011559 0.84 LCK (0.84) TEKLCKKDRSRCABL1
SCHEMBL7005403 0.83 TEK (0.71) TEKLCKKDRSRCEGFR

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 5 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 claimed
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