SCHEMBL22240289

SCHEMBL22240289

C=C(NC(C)C(F)(F)F)c1ccc2c(n1)N(C(=C)Cc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ AXL P30530 6/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ GPR6 P46095 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ACACB O00763 1/20 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
SCHEMBL22240292 0.85 MEN1 (0.32) CNR2CNR1AXL
SCHEMBL19713944 0.84 CNR2 (0.40) LPLLIPCLIPGCNR2CNR1
SCHEMBL19714198 0.84 CNR2 (0.40) LPLLIPCLIPGCNR2CNR1
SCHEMBL22239961 0.80 AXL (0.31) AXL
SCHEMBL22239973 0.77 — —
SCHEMBL22240094 0.77 PHGDH (0.36) —
SCHEMBL22239888 0.77 — —
SCHEMBL22239724 0.76 TRPV1 (0.31) CNR2CNR1
SCHEMBL22239716 0.76 KMT2A (0.34) —
SCHEMBL22239863 0.76 KMT2A (0.34) —

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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