SCHEMBL3971867

SCHEMBL3971867

CN1CCN(c2cccc(Nc3nc(-c4cc5ccc(C#N)cc5s4)c4cc[nH]c4n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.46
JAK2 O60674 2/20 0.43
BRD4 O60885 1/20 0.43
CDK2 P24941 9/20 0.42
CDK1 P06493 5/20 0.42
CCNB1 P14635 5/20 0.42
CDK7 P50613 5/20 0.42
CCNH P51946 5/20 0.42
FLT3 P36888 3/20 0.42
CCNE1 P24864 2/20 0.42
MNAT1 P51948 1/20 0.42
PTK2 Q05397 4/20 0.42
CCNT1 O60563 7/20 0.41
CCNA2 P20248 7/20 0.41
CDK9 P50750 7/20 0.41
CCNA1 P78396 2/20 0.40
EGFR P00533 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL3964230 0.94 TTK (0.46) TTKJAK2BRD4CDK2CDK1
SCHEMBL3971424 0.91 TTK (0.56) TTKJAK2BRD4FLT3PTK2
SCHEMBL3974456 0.88 TTK (0.50) TTKJAK2BRD4CDK2CDK1
SCHEMBL3971558 0.85 TTK (0.47) TTKJAK2BRD4CDK2CDK1
SCHEMBL3971213 0.85 TTK (0.56) TTKJAK2BRD4FLT3PTK2
SCHEMBL3975590 0.84 TTK (0.48) TTKJAK2BRD4CDK2CDK1
SCHEMBL3970607 0.80 TTK (0.49) TTKJAK2BRD4CDK2CDK1
SCHEMBL3970767 0.79 TTK (0.55) TTKJAK2BRD4PTK2EGFR
SCHEMBL13883885 0.79 TTK (0.47) TTKJAK2BRD4CDK2CDK1
SCHEMBL3970156 0.79 TTK (0.61) TTKJAK2BRD4PTK2EGFR

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