SCHEMBL11457708

SCHEMBL11457708

CCCNc1cc(-c2ccncc2CC)c[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.54
▸ CDK8 P49336 2/20 0.54
▸ ITK Q08881 7/20 0.42
▸ KDM6B O15054 2/20 0.41
▸ KDM4C Q9H3R0 2/20 0.41
▸ LATS1 O95835 2/20 0.39
▸ ECE1 P42892 1/20 0.38
▸ MUS81 Q96NY9 1/20 0.38
▸ LIMK1 P53667 4/20 0.37
▸ TTK P33981 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ INCENP Q9NQS7 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ KIT P10721 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ GPR142 Q7Z601 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.34

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
SCHEMBL11448005 0.78 CCNC (0.60) CCNCCDK8ITKTTKAURKB
SCHEMBL11448149 0.78 CCNC (0.60) CCNCCDK8ITKLATS1TTK
SCHEMBL11231633 0.78 CCNC (0.48) CCNCCDK8ITKTTKAURKB
SCHEMBL11219760 0.78 CCNC (0.51) CCNCCDK8ITKTTKAURKB
SCHEMBL11219764 0.78 CCNC (0.51) CCNCCDK8ITKTTKAURKB
SCHEMBL11231636 0.78 CCNC (0.48) CCNCCDK8ITKTTKAURKB
SCHEMBL11450026 0.75 CCNC (0.56) CCNCCDK8ITKKDM6BKDM4C
SCHEMBL11450302 0.75 CCNC (0.70) CCNCCDK8
SCHEMBL11449031 0.74 CCNC (0.55) CCNCCDK8ITKTTKAURKB
SCHEMBL11239434 0.74 CCNC (0.55) CCNCCDK8ITKTTKAURKB

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
US-4225715-A Preparation of 3-amino(or carbamyl)-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1980-09-30 — — US disclosed
US-4199586-A Di-(lower-alkyl) N-[1,2-dihydro-2-oxo-5-(pyridinyl)-3-pyridinyl]amino-methylanemalonates STERLING DRUG INC. (US) 1980-04-22 — — US disclosed
US-4137233-A 1,2-Dihydro-2-oxo-5-(pyridinyl)nicotinamides STERLING DRUG INC. (US) 1979-01-30 — — US disclosed
US-4107315-A 5-(Pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1978-08-15 — — US disclosed
US-4072746-A CARDIOTONIC AGENTS STERLING DRUG INC. (US) 1978-02-07 — — US disclosed
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