SCHEMBL4080704

SCHEMBL4080704

CN1CCN(c2cccc(Nc3nc(-c4cc5cc(C(=O)N6CCOCC6)ccc5s4)c4cc[nH]c4n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.46
PTK2 Q05397 1/20 0.44
JAK2 O60674 2/20 0.44
EGFR P00533 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
KCNH2 Q12809 1/20 0.44
TTK P33981 2/20 0.43
BRD4 O60885 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.42
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 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
SCHEMBL3963114 0.85 CDK2 (0.53) JAK2JAK1JAK3
SCHEMBL13883506 0.84 TTK (0.43) LRRK2PTK2JAK2EGFRJAK1
SCHEMBL3975590 0.83 TTK (0.48) PTK2JAK2EGFRJAK1JAK3
SCHEMBL3974456 0.82 TTK (0.50) PTK2JAK2EGFRJAK1JAK3
SCHEMBL13883495 0.81 TTK (0.42) PTK2JAK2EGFRJAK1JAK3
SCHEMBL3964230 0.81 TTK (0.46) PTK2JAK2EGFRJAK1JAK3
SCHEMBL3966549 0.80 JAK2 (0.42) LRRK2PTK2JAK2EGFRJAK1
SCHEMBL3973625 0.78 TTK (0.55) LRRK2PTK2JAK2EGFRJAK1
SCHEMBL3967615 0.77 CDK2 (0.54) JAK2JAK1JAK3BRD4
SCHEMBL4084023 0.76 TTK (0.49) LRRK2PTK2JAK2EGFRJAK1

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