SCHEMBL13258798

SCHEMBL13258798

N#Cc1cnc(NC2CCCCC2)c2nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.55
▸ MAPKAPK2 P49137 11/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ CSNK1D P48730 1/20 0.55
▸ TSSK2 Q96PF2 1/20 0.55
▸ IRAK4 Q9NWZ3 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MAPK8 P45983 1/20 0.38

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
SCHEMBL13259792 0.90 CHEK1 (0.67) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259782 0.88 CHEK1 (0.49) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259773 0.88 CHEK1 (0.69) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258780 0.85 MAPKAPK2 (0.46) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259850 0.84 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776797 0.81 CHEK1 (0.55) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258799 0.81 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764317 0.80 CHEK1 (0.47) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258885 0.80 CHEK1 (0.84) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259836 0.78 CHEK1 (0.53) CHEK1MAPKAPK2JAK2LCKIGF1R

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
WO-2010088368-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2010-08-05 — — WO disclosed
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