SCHEMBL16795448

SCHEMBL16795448

Cc1ccn2ncc(-c3nc(Cl)c(F)c(N[C@@H]4CCCNC4)n3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.48
JAK1 P23458 11/20 0.48
JAK3 P52333 11/20 0.48
CDK2 P24941 4/20 0.46
CCNT1 O60563 2/20 0.46
CCNK O75909 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
CCNH P51946 2/20 0.46
MNAT1 P51948 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
MAPKAPK2 P49137 2/20 0.41
CHEK2 O96017 3/20 0.38
IRAK4 Q9NWZ3 2/20 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
SCHEMBL16795450 1.00 JAK2 (0.48) JAK2JAK1JAK3CDK2CCNT1
SCHEMBL16795293 0.86 CCNT1 (0.61) JAK2JAK1JAK3CDK2CCNT1
SCHEMBL18302195 0.84 JAK2 (0.68) JAK2JAK1JAK3IRAK4
SCHEMBL18302190 0.80 JAK2 (0.64) JAK2JAK1JAK3
SCHEMBL16795182 0.80 JAK2 (0.64) JAK2JAK1JAK3
SCHEMBL16795132 0.78 JAK2 (0.40) JAK2JAK1JAK3
SCHEMBL16795190 0.77 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL16795188 0.77 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL18302099 0.76 JAK2 (0.66) JAK2JAK1JAK3CDK2CCNT1
SCHEMBL18302167 0.75 CCNT1 (0.57) JAK2JAK1JAK3CDK2CCNT1

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed