SCHEMBL17631866

SCHEMBL17631866

COc1ccnc(N(C#N)C(=O)[C@H]2CCNC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.41
▸ NOS1 P29475 4/20 0.40
▸ NOS2 P35228 4/20 0.40
▸ REN P00797 2/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NOS3 P29474 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ PRKCI P41743 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
SCHEMBL17632002 0.84 CDK9 (0.41) CDK9RENNPC1RAB9AMC4R
SCHEMBL17631915 0.82 CDK9 (0.35) CDK9REN
SCHEMBL17632600 0.80 CDK9 (0.39) CDK9ALDH1A1SMN1; SMN2CYP1A2TRPM8
SCHEMBL17632095 0.80 USP30 (0.41) CDK9GSK3B
SCHEMBL17631671 0.80 USP30 (0.41) CDK9GSK3B
SCHEMBL17632283 0.79 MKNK1 (0.38) CDK9
SCHEMBL17631644 0.79 CDK9 (0.40) CDK9GSK3BPRKCI
SCHEMBL17632116 0.77 CDK9 (0.38) CDK9
SCHEMBL17632787 0.76 MEN1 (0.40) CDK9REN
SCHEMBL17632070 0.75 USP30 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2

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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