SCHEMBL30201485

SCHEMBL30201485

O=C(O)c1ccc2ccn(-c3ccncc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
FGFR1 P11362 2/20 0.44
NAPRT Q6XQN6 1/20 0.43
PIM3 Q86V86 2/20 0.41
CYP19A1 P11511 2/20 0.41
TBXAS1 P24557 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
DYRK1A Q13627 1/20 0.40
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
ADH5 P11766 1/20 0.37

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
SCHEMBL6840246 0.88 RXRA (0.47) FGFR1NAPRTPIM3TBXAS1PIM1
SCHEMBL24950460 0.86 FGFR1 (0.55) SCN9AFGFR1PIM3PIM1F2
SCHEMBL30201454 0.86 FGFR1 (0.55) SCN9AFGFR1PIM3PIM1F2
SCHEMBL29280306 0.82 SRD5A2 (0.49) SCN9AFGFR1F2F10PRSS1
SCHEMBL30201463 0.82 SCN9A (0.60) SCN9AFGFR1F2F10PRSS1
SCHEMBL28311684 0.77 SCN9A (0.44) SCN9AFGFR1PIM3PIM1CSNK2A1
SCHEMBL26436213 0.76 CYP19A1 (0.48) NAPRTCYP19A1DYRK1ANR4A1NR4A2
SCHEMBL6840263 0.75 HTR6 (0.58) TBXAS1F2F10PRSS1MCL1
SCHEMBL25259848 0.75 ROCK2 (0.63) FGFR1PIM3PIM1
SCHEMBL1613814 0.74 CDC7 (0.54) CYP19A1CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed