SCHEMBL13258780

SCHEMBL13258780

N#Cc1cnc(N[C@H]2CCCC(c3ccccc3)C2)c2nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 12/20 0.46
▸ CHEK1 O14757 12/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ TSSK2 Q96PF2 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33

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 0.85 CHEK1 (0.55) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13259773 0.80 CHEK1 (0.69) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13259782 0.80 CHEK1 (0.49) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13259792 0.80 CHEK1 (0.67) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13764317 0.73 CHEK1 (0.47) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13776797 0.72 CHEK1 (0.55) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13259850 0.70 CHEK1 (0.57) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13258755 0.69 CHEK1 (0.80) MAPKAPK2CHEK1JAK2LCKIGF1R
SCHEMBL13258778 0.69 CHEK1 (0.56) MAPKAPK2CHEK1LCKIRAK4CYP1A2
SCHEMBL13258799 0.68 CHEK1 (0.57) MAPKAPK2CHEK1JAK2LCKIGF1R

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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