SCHEMBL3971558

SCHEMBL3971558

Cc1cc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3[nH]ccc23)sc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.47
CDK2 P24941 8/20 0.46
CCNT1 O60563 7/20 0.46
CCNA2 P20248 7/20 0.46
CDK9 P50750 7/20 0.46
JAK2 O60674 3/20 0.45
BRD4 O60885 1/20 0.45
CDK1 P06493 5/20 0.44
CCNB1 P14635 5/20 0.44
CDK7 P50613 5/20 0.44
CCNH P51946 5/20 0.44
PTK2 Q05397 5/20 0.43
CCNE1 P24864 1/20 0.42
FLT3 P36888 1/20 0.42
MNAT1 P51948 1/20 0.42
CCNA1 P78396 2/20 0.42
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL3975589 0.91 TTK (0.58) TTKJAK2BRD4PTK2FLT3
SCHEMBL3971867 0.85 TTK (0.46) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL3964230 0.85 TTK (0.46) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL3971207 0.84 CCNA2 (0.63) CDK2CCNT1CCNA2CDK9JAK2
SCHEMBL3974456 0.83 TTK (0.50) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL3975590 0.82 TTK (0.48) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL3970607 0.82 TTK (0.49) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL3970170 0.82 TTK (0.51) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL13883885 0.79 TTK (0.47) TTKCDK2CCNT1CCNA2CDK9
SCHEMBL13883512 0.78 TTK (0.46) TTKCDK2CCNT1CCNA2CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed