SCHEMBL6861567

SCHEMBL6861567

O=C(O)Nc1ccc(-c2cn(C3CCN(Cc4ccccc4)CC3)c3ncnc(Cl)c23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NEK7 Q8TDX7 17/20 0.49
LCK P06239 3/20 0.43
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
SRC P12931 2/20 0.43
ABL2 P42684 2/20 0.43

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
SCHEMBL6869480 0.90 NEK7 (0.46) NEK7LCKABL1EGFRSRC
SCHEMBL6870933 0.81 NEK7 (0.52) NEK7
SCHEMBL6461714 0.77 RIPK2 (0.68) LCKABL1EGFRSRCABL2
SCHEMBL6460259 0.76 TEK (0.56) NEK7
SCHEMBL6460401 0.76 EIF2AK3 (0.49) NEK7LCKABL1EGFRSRC
SCHEMBL2074968 0.75 SRC (0.48) NEK7LCKABL1EGFRSRC
SCHEMBL27088000 0.75 NEK7 (0.64) NEK7
SCHEMBL25253600 0.73 NEK7 (0.69) NEK7
SCHEMBL29999181 0.73 NEK7 (0.67) NEK7EGFR
SCHEMBL29998751 0.73 NEK7 (0.69) NEK7

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
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN disclosed