SCHEMBL13259782

SCHEMBL13259782

N#Cc1cnc(N[C@H]2CCCOC2)c2nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.49
▸ MAPKAPK2 P49137 11/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ LCK P06239 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ CSNK1D P48730 1/20 0.48
▸ TSSK2 Q96PF2 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ CD38 P28907 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL13258798 0.88 CHEK1 (0.55) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259773 0.83 CHEK1 (0.69) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259792 0.83 CHEK1 (0.67) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258877 0.82 CHEK1 (0.73) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258780 0.80 MAPKAPK2 (0.46) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL14346829 0.80 CHEK1 (0.35) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13776797 0.77 CHEK1 (0.55) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13764317 0.75 CHEK1 (0.47) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13259850 0.73 CHEK1 (0.57) CHEK1MAPKAPK2JAK2LCKIGF1R
SCHEMBL13258799 0.71 CHEK1 (0.57) 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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