SCHEMBL3974565

SCHEMBL3974565

CN1CCN(c2ccc(Nc3nc(-c4cc5c(s4)CCN(C(N)=O)C5)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.53
EGFR P00533 3/20 0.48
JAK3 P52333 4/20 0.47
BTK Q06187 2/20 0.47
MAP3K7 O43318 1/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
KCNH2 Q12809 1/20 0.46
PTK2 Q05397 3/20 0.45
BRD4 O60885 1/20 0.45
LRRK2 Q5S007 1/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 1/20 0.41
AURKA O14965 1/20 0.41
CDK4 P11802 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 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
SCHEMBL13883523 0.93 TTK (0.53) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883521 0.91 TTK (0.51) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883709 0.89 TTK (0.49) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883522 0.89 TTK (0.49) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883524 0.87 TTK (0.49) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883923 0.86 TTK (0.55) TTKEGFRJAK3BTKMAP3K7
SCHEMBL3971546 0.85 CDK2 (0.45) TTKEGFRJAK3BTKJAK2
SCHEMBL13883500 0.83 JAK2 (0.46) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883495 0.82 TTK (0.42) TTKEGFRJAK3BTKMAP3K7
SCHEMBL13883690 0.82 JAK2 (0.43) TTKEGFRJAK3BTKMAP3K7

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