SCHEMBL29958765

SCHEMBL29958765

O=C(Cc1cccnc1)N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.62
FNTB P49356 3/20 0.62
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NAPRT Q6XQN6 1/20 0.54
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CXCR3 P49682 1/20 0.47

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
SCHEMBL3581351 1.00 FNTA (0.62) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL21835176 0.88 FNTA (0.65) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL30522511 0.88 FNTA (0.65) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL1312788 0.87 C3AR1 (0.55) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL8607468 0.86 FNTA (0.64) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL5718112 0.85 ALDH1A1 (0.67) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL27655647 0.85 FNTA (0.62) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL13621174 0.84 FNTA (0.64) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL18389960 0.81 HSD11B1 (0.69) FNTAFNTBALDH1A1KDM4EMEN1
SCHEMBL22493291 0.81 FNTA (0.58) FNTAFNTBALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 EP disclosed
CN-116981459-A Heterocyclic derivatives as janus kinase inhibitors 奇斯药制品公司 2023-10-31 CN disclosed
WO-2022194779-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-22 WO disclosed