SCHEMBL18052178

SCHEMBL18052178

COCCOc1ccc(-c2cnc(NC3=NC=C(C#N)NC3)cc2NC2CCN(C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.44
CHEK2 O96017 1/20 0.42
NSD2 O96028 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCD Q05655 2/20 0.34
KCNH2 Q12809 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL13893589 0.89 CHEK1 (0.40) CHEK1CHEK2
SCHEMBL617330 0.83 CHEK1 (0.61) CHEK1CHEK2
SCHEMBL10221418 0.78 CHEK1 (0.46) CHEK1CHEK2KCNH2
SCHEMBL18052225 0.78 CHEK1 (0.39) CHEK1CHEK2NSD2EHMT2IKBKE
SCHEMBL12123022 0.78 CHEK1 (0.51) CHEK1CHEK2
SCHEMBL617318 0.76 CHEK1 (0.57) CHEK1CHEK2KCNH2
SCHEMBL617465 0.74 CHEK1 (0.66) CHEK1CHEK2
SCHEMBL618516 0.73 CHEK1 (0.62) CHEK1CHEK2
SCHEMBL13893599 0.70 CHEK1 (0.42) CHEK1CHEK2EHMT2PRKCQ
SCHEMBL12123024 0.70 CHEK1 (0.47) CHEK1CHEK2PRKCQKCNH2

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