SCHEMBL17776449

SCHEMBL17776449

Cc1cc(C(=O)N[C@H](C)C(F)(F)F)nc2c1N1CCC(C1)N2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 15/20 0.35
▸ KDM5A P29375 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ AXL P30530 1/20 0.33

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
SCHEMBL17770070 1.00 PDE2A (0.35) PDE2AKDM5AJAK2NTRK1AXL
SCHEMBL17770066 1.00 PDE2A (0.35) PDE2AKDM5AJAK2NTRK1AXL
SCHEMBL17769333 0.94 PDE2A (0.36) PDE2AJAK2NTRK1
SCHEMBL20721004 0.94 PDE2A (0.36) PDE2AJAK2NTRK1
SCHEMBL17769334 0.94 PDE2A (0.36) PDE2AJAK2NTRK1
SCHEMBL20721005 0.94 PDE2A (0.36) PDE2AJAK2NTRK1
SCHEMBL19736198 0.89 KDM4E (0.38) PDE2AKDM5A
SCHEMBL17770532 0.83 NAPEPLD (0.36) PDE2AKDM5AJAK2AXL
SCHEMBL17776953 0.83 NAPEPLD (0.36) PDE2AKDM5AJAK2AXL
SCHEMBL20550574 0.82 AXL (0.36) JAK2NTRK1AXL

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
Send feedback