SCHEMBL3663652

SCHEMBL3663652

CN1CCC(Nc2cc([AsH]c3cnc(C#N)cn3)ncc2-c2ccc(N3CCOCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.41
CHEK2 O96017 1/20 0.41
ACHE P22303 1/20 0.38
TBK1 Q9UHD2 10/20 0.37
IKBKE Q14164 5/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
SYK P43405 1/20 0.36
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL618397 0.86 CHEK1 (0.57) CHEK1CHEK2TBK1IKBKE
SCHEMBL12123026 0.78 CHEK1 (0.47) CHEK1CHEK2TBK1IKBKEEHMT2
SCHEMBL621123 0.72 CHEK1 (0.64) CHEK1CHEK2
SCHEMBL617465 0.71 CHEK1 (0.66) CHEK1CHEK2
SCHEMBL618516 0.69 CHEK1 (0.62) CHEK1CHEK2
SCHEMBL617330 0.68 CHEK1 (0.61) CHEK1CHEK2
SCHEMBL620417 0.67 CHEK1 (0.60) CHEK1CHEK2
SCHEMBL620229 0.66 CHEK1 (0.62) CHEK1CHEK2
SCHEMBL619487 0.65 CHEK1 (0.61) CHEK1CHEK2
SCHEMBL619611 0.64 CHEK1 (0.59) CHEK1CHEK2

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