SCHEMBL7006180

SCHEMBL7006180

CC(=O)Nc1ccc(Oc2ccc(-c3cn(C(C)(C)C)c4ncnc(N)c34)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.72
KDR P35968 9/20 0.72
LCK P06239 9/20 0.72
SRC P12931 5/20 0.70
RET P07949 7/20 0.52
FLT3 P36888 1/20 0.48
RIPK2 O43353 1/20 0.47

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
SCHEMBL7009649 0.91 TEK (0.72) TEKKDRLCKSRCFLT3
SCHEMBL7004369 0.84 TEK (1.00) TEKKDRLCKSRCRET
SCHEMBL7007092 0.84 TEK (1.00) TEKKDRLCKSRCRET
SCHEMBL7005403 0.83 TEK (0.71) TEKKDRLCKSRCRET
SCHEMBL7007353 0.83 KDR (1.00) TEKKDRLCKSRCRET
SCHEMBL6861193 0.83 LCK (1.00) TEKKDRLCKSRC
SCHEMBL7009429 0.80 LCK (0.75) TEKKDRLCKSRC
SCHEMBL7008419 0.80 LCK (0.83) TEKKDRLCKSRC
SCHEMBL7004302 0.78 TEK (0.71) TEKKDRLCKSRC
SCHEMBL6464152 0.78 LCK (0.78) TEKKDRLCKSRCFLT3

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