SCHEMBL30984852

SCHEMBL30984852

COC(OC)C1CC2(CCN(c3ccc4cn[nH]c(=O)c4c3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.35
▸ TRPC5 Q9UL62 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ SYK P43405 4/20 0.34
▸ MTOR P42345 1/20 0.33
▸ TNK2 Q07912 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
SCHEMBL30984964 0.92 CYP3A4 (0.36) JAK2TRPC5ALDH1A1KDM4EMAPT
SCHEMBL30985228 0.87 SYK (0.38) JAK2ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL30984790 0.76 CRBN (0.41) —
SCHEMBL25937317 0.74 HSD17B10 (0.53) ALDH1A1KDM4EMAPTMEN1POLB
SCHEMBL30985209 0.73 CYP11B2 (0.56) PARP1
SCHEMBL30984996 0.70 MEN1 (0.45) JAK2ALDH1A1MAPTCYP3A4MEN1
SCHEMBL31204379 0.69 SIRT6 (0.40) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL30985122 0.68 PARP1 (0.38) JAK2ALDH1A1CYP3A4PARP1PRKCI
SCHEMBL25141632 0.68 MAPT (0.48) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL27041920 0.67 POLB (0.38) ALDH1A1POLBHPGD

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
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