SCHEMBL27429710

SCHEMBL27429710

COc1cccc(Nc2nc(N3CCN(C)CC3)nc3nccnc23)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.64
▸ HTR2A P28223 2/20 0.64
▸ SRC P12931 3/20 0.56
▸ BRD4 O60885 2/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ CCNK O75909 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ GALR2 O43603 1/20 0.48
▸ GALR1 P47211 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GRM4 Q14833 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45

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
SCHEMBL27248330 0.86 L3MBTL1 (0.58) HTR2CHTR2ASRCCCNKCCND3
SCHEMBL27248319 0.85 HRH4 (0.46) HTR2CHTR2ABRD4CCND3HRH4
SCHEMBL27429695 0.85 HRH4 (0.49) HTR2CHTR2ACCNA2CDK2SMN1; SMN2
SCHEMBL27430722 0.82 HTR2C (0.44) HTR2CHTR2ASRCSMN1; SMN2HRH4
SCHEMBL27429484 0.82 BCL6 (0.66) BRD4GRM4HRH4
SCHEMBL27248311 0.81 HPGD (0.58) HTR2CHTR2AALDH1A1HRH4
SCHEMBL27429988 0.80 HTR2C (0.61) HTR2CHTR2AHRH4
SCHEMBL30879557 0.79 HTR2C (0.42) HTR2CHTR2ASRCHRH4
SCHEMBL27430034 0.79 HTR2C (0.48) HTR2CHTR2ACCNKCCND3CDK9
SCHEMBL27248392 0.79 HPGD (0.50) HTR2CHTR2ABRD4CDK9ALDH1A1

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-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — WO disclosed
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