SCHEMBL2640126

SCHEMBL2640126

CCc1cc(-c2c[nH]c3ncc(C(=O)O)cc23)nc(N)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 19/20 0.69
▸ PIK3CA P42336 3/20 0.64
▸ PIK3CG P48736 1/20 0.64
▸ CCNT1 O60563 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK9 P50750 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
SCHEMBL1603822 0.87 PDPK1 (0.70) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL2640128 0.84 PDPK1 (0.65) PDPK1PIK3CAPIK3CGCCNT1CCNA2
SCHEMBL14001685 0.83 PDPK1 (0.78) PDPK1PIK3CAPIK3CG
SCHEMBL1456585 0.83 PDPK1 (0.58) PDPK1PIK3CAPIK3CG
SCHEMBL1456343 0.82 PDPK1 (0.57) PDPK1PIK3CAPIK3CG
SCHEMBL2421437 0.82 PDPK1 (0.56) PDPK1PIK3CAPIK3CG
SCHEMBL1604109 0.81 PDPK1 (1.00) PDPK1PIK3CAPIK3CG
SCHEMBL13541693 0.81 PDPK1 (0.74) PDPK1PIK3CAPIK3CG
SCHEMBL1603268 0.81 PDPK1 (0.74) PDPK1PIK3CAPIK3CG
SCHEMBL1603767 0.80 PDPK1 (1.00) PDPK1PIK3CAPIK3CGCCNT1CCNA2

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
JP-2011526260-A — — 2011-10-06 — — JP claimed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — WO claimed
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