SCHEMBL7007092

SCHEMBL7007092

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 14/20 1.00
LCK P06239 14/20 1.00
KDR P35968 14/20 1.00
SRC P12931 9/20 0.84
RET P07949 2/20 0.53
EGFR P00533 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
RGS12 O14924 1/20 0.51
NPC1 O15118 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
FYN P06241 1/20 0.51
LYN P07948 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 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
SCHEMBL7007353 0.92 KDR (1.00) TEKLCKKDRSRCRET
SCHEMBL6861193 0.92 LCK (1.00) TEKLCKKDRSRCEGFR
SCHEMBL7004369 0.91 TEK (1.00) TEKLCKKDRSRCRET
SCHEMBL7008467 0.89 LCK (1.00) TEKLCKKDRSRCEGFR
SCHEMBL7010707 0.86 TEK (0.77) TEKLCKKDRSRCEGFR
SCHEMBL7006962 0.86 LCK (0.83) TEKLCKKDRSRCEGFR
SCHEMBL7011559 0.86 LCK (0.84) TEKLCKKDRSRCEGFR
SCHEMBL7008419 0.86 LCK (0.83) TEKLCKKDRSRCEGFR
SCHEMBL7006502 0.85 LCK (0.81) TEKLCKKDRSRCEGFR
SCHEMBL7012315 0.84 TEK (0.78) 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