SCHEMBL3973625

SCHEMBL3973625

CN1CCN(c2ccc(Nc3nc(-c4ccc(C(=O)N5CCOCC5)s4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.55
LRRK2 Q5S007 2/20 0.50
EGFR P00533 2/20 0.49
JAK3 P52333 5/20 0.48
BTK Q06187 3/20 0.48
MAP3K7 O43318 1/20 0.48
PTK2 Q05397 4/20 0.47
JAK2 O60674 2/20 0.45
JAK1 P23458 1/20 0.45
KCNH2 Q12809 1/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL3969022 0.88 TTK (0.60) TTKLRRK2EGFRJAK3BTK
SCHEMBL4236776 0.87 TTK (0.59) TTKLRRK2EGFRJAK3BTK
SCHEMBL13883474 0.85 TTK (0.57) TTKLRRK2JAK3BTKPTK2
SCHEMBL3971640 0.83 TTK (0.62) TTKLRRK2EGFRJAK3BTK
SCHEMBL3970311 0.82 TTK (0.66) TTKEGFRJAK3BTKMAP3K7
SCHEMBL3972654 0.81 TTK (0.62) TTKEGFRJAK3BTKMAP3K7
SCHEMBL3971407 0.78 TTK (0.61) TTKEGFRJAK3BTKMAP3K7
SCHEMBL4080704 0.78 LRRK2 (0.46) TTKLRRK2EGFRJAK3BTK
SCHEMBL13883523 0.76 TTK (0.53) TTKLRRK2EGFRJAK3BTK
SCHEMBL3974565 0.75 TTK (0.53) TTKLRRK2EGFRJAK3BTK

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 3 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 claimed
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