SCHEMBL3970170

SCHEMBL3970170

Cc1csc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3[nH]ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.51
JAK2 O60674 2/20 0.48
BRD4 O60885 2/20 0.48
PTK2 Q05397 4/20 0.46
CDK2 P24941 5/20 0.45
CCNT1 O60563 4/20 0.45
CCNA2 P20248 4/20 0.45
CDK9 P50750 4/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CDK7 P50613 3/20 0.45
CCNH P51946 3/20 0.45
FLT3 P36888 2/20 0.45
CCNE1 P24864 1/20 0.45
MNAT1 P51948 1/20 0.45
EGFR P00533 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3972657 0.91 CCNA2 (0.47) TTKPTK2CDK2CCNT1CCNA2
SCHEMBL3970291 0.90 TTK (0.63) TTKJAK2BRD4PTK2FLT3
SCHEMBL3971647 0.85 PDPK1 (0.47) TTKJAK2BRD4PTK2CDK2
SCHEMBL3975590 0.84 TTK (0.48) TTKJAK2BRD4PTK2CDK2
SCHEMBL3971363 0.84 TTK (0.46) TTKJAK2BRD4PTK2CDK2
SCHEMBL13883513 0.84 PDE5A (0.49) TTKJAK2BRD4CDK2CCNT1
SCHEMBL13883562 0.84 IRAK4 (0.49) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3966581 0.83 JAK2 (0.51) TTKJAK2BRD4PTK2EGFR
SCHEMBL3974456 0.83 TTK (0.50) TTKJAK2BRD4PTK2CDK2
SCHEMBL3971558 0.82 TTK (0.47) TTKJAK2BRD4PTK2CDK2

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