SCHEMBL9797708

SCHEMBL9797708

Cc1nc(C)c(C#N)nc1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
GRK5 P34947 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PRKX P51817 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PRKCQ Q04759 1/20 0.32
MAP4K2 Q12851 1/20 0.32
DYRK1A Q13627 1/20 0.32
IKBKE Q14164 1/20 0.32
NTRK3 Q16288 1/20 0.32

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
SCHEMBL9860848 0.91 CHEK1 (0.33) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL30688772 0.88 USP8 (0.35) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL2488974 0.88 USP8 (0.35) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL25523357 0.83 ALDH1A1 (0.35) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL13726247 0.81 ALDH1A1 (0.34) KDM4ELMNAMAPT
SCHEMBL20155734 0.79 KDM4E (0.36) KDM4ELMNA
SCHEMBL19596704 0.78 ALDH1A1 (0.35) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL12644360 0.78 ALDH1A1 (0.35) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL23886085 0.76 KDM4E (0.42) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL10087551 0.76 HSD17B10 (0.38) KDM4ELMNAMAPT

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-4981978-A Reaction products of imidazole on pyrazole derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed
US-4831137-A Reaction products of pteridine and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1989-05-16 US disclosed
US-4755600-A Reaction products of pyrazine, pyridine, quinoline and quinoxaline derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4680347-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1987-07-14 US disclosed
US-4629770-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed