SCHEMBL20633318

SCHEMBL20633318

C=C(Nc1cccc(C2=CN=CC2)c1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ NPY2R P49146 2/20 0.30
▸ MTTP P55157 2/20 0.30

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
SCHEMBL20631968 0.85 USP2 (0.38) CNR1NPY2R
SCHEMBL20632157 0.85 ABL1 (0.35) CLK2ABL1
SCHEMBL20632665 0.84 NPY2R (0.36) NPY2RMTTP
SCHEMBL20632885 0.81 CYP11B2 (0.32) CNR1
SCHEMBL20632299 0.79 GSK3B (0.35) ABL1
SCHEMBL20632764 0.78 GSK3B (0.36) ABL1
SCHEMBL20632281 0.77 CHRM4 (0.35) ABL1
SCHEMBL16249978 0.76 CREBBP (0.42) CNR1
SCHEMBL20631692 0.76 SLC27A1 (0.36) ABL1ACKR3
SCHEMBL20632516 0.74 PRMT5 (0.36) CLK2

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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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