SCHEMBL19980277

SCHEMBL19980277

CNC(=O)c1nnc(Cc2cccc(F)c2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.42
IDH1 O75874 1/20 0.41
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SNCA P37840 1/20 0.40
SCD O00767 1/20 0.40
NR3C2 P08235 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
SCHEMBL15964735 0.85 HCAR2 (0.53) POLBTP53HCAR2THRBLMNA
SCHEMBL15964837 0.83 HCAR2 (0.46) POLBTP53HCAR2IDH1NR3C2
SCHEMBL18377480 0.83 BRD4 (0.48)
SCHEMBL15957045 0.83 PTGES (0.53) POLBTP53HCAR2LMNAMAPT
SCHEMBL30091541 0.83 PTGES (0.53) POLBTP53HCAR2LMNAMAPT
SCHEMBL22048290 0.77 NPC1 (0.40) POLB
SCHEMBL23189194 0.76 PTGES (0.42) POLBTP53HCAR2LMNAIDH1
SCHEMBL22048482 0.74 THRB (0.35) POLBTP53HCAR2THRBLMNA
SCHEMBL20344607 0.74 ALDH1A1 (0.37) POLBTP53THRBMAPT
SCHEMBL17312615 0.74 RIPK1 (0.50)

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-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed