SCHEMBL30984964

SCHEMBL30984964

COC(OC)C1CC2(CCN(c3ccc4c(=O)[nH]ncc4c3)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.36
▸ ROCK2 O75116 8/20 0.36
▸ JAK2 O60674 4/20 0.35
▸ TRPC5 Q9UL62 1/20 0.35
▸ PARP1 P09874 3/20 0.34
▸ TNK1 Q13470 2/20 0.34
▸ ALDH1A1 P00352 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
▸ CHRM4 P08173 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ C1S P09871 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL30984852 0.92 JAK2 (0.35) CYP3A4ROCK2JAK2TRPC5PARP1
SCHEMBL30985228 0.78 SYK (0.38) CYP3A4ROCK2JAK2PARP1ALDH1A1
SCHEMBL30985122 0.77 PARP1 (0.38) CYP3A4ROCK2JAK2PARP1TNK1
SCHEMBL30544687 0.75 POLB (0.49) CYP3A4ROCK2PARP1ALDH1A1PRKCI
SCHEMBL30984892 0.73 ACACB (0.55) CYP3A4PARP1
SCHEMBL30905935 0.73 HTR3E (0.49) CYP3A4PARP1TNK1ALDH1A1PRKCI
SCHEMBL30544684 0.72 PIK3CD (0.53) JAK2PARP1ALDH1A1PRKCIPDE4B
SCHEMBL30544653 0.72 TIPARP (0.45) CYP3A4ROCK2PARP1ALDH1A1PRKCI
SCHEMBL30985003 0.70 KMT2A (0.45) JAK2ALDH1A1TDP1MEN1MAPT
SCHEMBL31204379 0.69 SIRT6 (0.40) CYP3A4ALDH1A1HSD17B10MEN1MAPT

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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