SCHEMBL23515312

SCHEMBL23515312

Cc1cc(N2CCCC(N)C2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.53
▸ PBK Q96KB5 2/20 0.50
▸ DOT1L Q8TEK3 1/20 0.45
▸ DPP4 P27487 2/20 0.43
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ CDC42BPB Q9Y5S2 3/20 0.42
▸ PIM1 P11309 3/20 0.42
▸ PIM3 Q86V86 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ KHK P50053 1/20 0.41
▸ MAP4K4 O95819 2/20 0.40
▸ CDC42BPA Q5VT25 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
SCHEMBL16684832 0.84 HRH4 (0.44) HRH4PBKKHK
SCHEMBL23515046 0.84 HRH4 (0.45) HRH4MAP4K4
SCHEMBL7008838 0.81 HRH4 (0.48) HRH4KHK
Hydrochloric Acid SCHEMBL16684861 0.80 HRH4 (0.47) HRH4KHK
SCHEMBL20757090 0.80 HRH4 (0.47) HRH4
SCHEMBL20756422 0.80 HRH4 (0.45) HRH4
SCHEMBL425041 0.79 HRH4 (0.56) HRH4
SCHEMBL23504190 0.79 DOT1L (0.44) HRH4PBKDOT1LROCK2ROCK1
SCHEMBL22774088 0.79 DOT1L (0.44) HRH4PBKDOT1LROCK2ROCK1
SCHEMBL25372604 0.79 DOT1L (0.44) HRH4PBKDOT1LROCK2ROCK1

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
WO-2021116446-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 — — WO disclosed
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