SCHEMBL17631709

SCHEMBL17631709

CC(C)(C)c1cc(N(C#N)C(=O)C2CCNC2)no1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.43
▸ RAPGEF3 O95398 6/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CSF1R P07333 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL17632381 0.79 USP30 (0.48) NPC1SMN1; SMN2
SCHEMBL17631915 0.77 CDK9 (0.35) FLT3
SCHEMBL17632787 0.73 MEN1 (0.40) —
SCHEMBL17632085 0.73 CDK9 (0.36) FLT3CNR2
SCHEMBL17632600 0.72 CDK9 (0.39) SMN1; SMN2
SCHEMBL11391631 0.71 NPC1 (0.41) FLT3NPC1SMN1; SMN2CNR1CNR2
SCHEMBL17631951 0.71 SLC6A2 (0.38) —
SCHEMBL17632002 0.70 CDK9 (0.41) NPC1SMN1; SMN2
SCHEMBL17631866 0.70 CDK9 (0.41) NPC1SMN1; SMN2
SCHEMBL17632116 0.70 CDK9 (0.38) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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