SCHEMBL31347634

SCHEMBL31347634

NC(=O)CN1CCC(Oc2ccnc(NCCO)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
EIF2AK2 P19525 2/20 0.36
HTR1A P08908 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MAPK14 Q16539 1/20 0.35
OGA O60502 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
PRKCI P41743 2/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ROCK2 O75116 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
SCHEMBL31347585 0.94 HTR1A (0.39) CCNKCDK12HTR1AHRH4HRH3
SCHEMBL31347588 0.91 CCNK (0.36) CCNKCDK12HTR1AHRH4HRH3
SCHEMBL31347563 0.89 HTR1A (0.40) CCNKCDK12HTR1AOGAIRAK4
SCHEMBL31347566 0.89 CCR4 (0.39) CCNKCDK12HRH4HRH3OGA
SCHEMBL31347571 0.88 ALOX5AP (0.39) CCNKCDK12HRH4HRH3OGA
SCHEMBL30775184 0.79 EGFR (0.38) IRAK4
SCHEMBL31347576 0.78 LDHA (0.35) HRH4IRAK4PRKCIROCK2
SCHEMBL31347565 0.78 EGFR (0.35) MAPK14IRAK4
SCHEMBL30775237 0.77 CHRM2 (0.37) IRAK4PRKCIMEN1HTTKMT2A
SCHEMBL18615430 0.76 LRRK2 (0.39) EIF2AK2HRH4HRH3MAPK14OGA

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
CN-119403798-A Novel compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof 东亚ST 株式会社 2025-02-07 CN disclosed