SCHEMBL18052177

SCHEMBL18052177

CN1CCC(N(N)c2cc(Nc3cnc(C#N)cn3)ncc2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.48
CHEK2 O96017 2/20 0.48

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
SCHEMBL10172397 0.79 CHEK1 (0.50) CHEK1CHEK2
SCHEMBL617322 0.78 CHEK1 (0.49) CHEK1CHEK2
SCHEMBL617141 0.78 CHEK1 (0.69) CHEK1CHEK2
SCHEMBL617305 0.75 CHEK1 (0.51) CHEK1CHEK2
SCHEMBL618324 0.74 CHEK1 (0.68) CHEK1CHEK2
SCHEMBL10217801 0.73 CHEK1 (0.49) CHEK1CHEK2
SCHEMBL28837308 0.72 CHEK1 (0.48) CHEK1CHEK2
SCHEMBL617518 0.72 CHEK1 (0.72) CHEK1CHEK2
SCHEMBL28837302 0.71 CHEK1 (0.48) CHEK1CHEK2
SCHEMBL16187941 0.70 CHEK1 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197874-B1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2016-08-31 EP disclosed