SCHEMBL3663674

SCHEMBL3663674

N#Cc1cnc(Nc2cc([AsH]CCC3CCOCC3)ncn2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.66
CHEK2 O96017 4/20 0.50
KCNH2 Q12809 3/20 0.40
NUAK1 O60285 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
FLT1 P17948 1/20 0.39
MARK3 P27448 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
CLK2 P49760 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKD1 Q15139 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
PHKG1 Q16816 1/20 0.39
MAPK15 Q8TD08 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL619989 0.82 CHEK1 (0.80) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL619578 0.80 CHEK1 (1.00) CHEK1CHEK2KCNH2
SCHEMBL619577 0.72 CHEK1 (0.61) CHEK1CHEK2
SCHEMBL618267 0.70 CHEK1 (0.77) CHEK1CHEK2KCNH2
SCHEMBL620023 0.69 CHEK1 (0.80) CHEK1CHEK2
SCHEMBL22944503 0.68 CHEK1 (0.64) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL620971 0.67 CHEK1 (0.70) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL618244 0.67 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL619374 0.66 CHEK1 (0.80) CHEK1CHEK2KDR
SCHEMBL618354 0.66 CHEK1 (1.00) CHEK1CHEK2KDR

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
EP-2197874-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-06-23 EP disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 WO disclosed