SCHEMBL30985228

SCHEMBL30985228

COC(OC)C1CCN(c2ccc3cn[nH]c(=O)c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP3A4 P08684 4/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ MTOR P42345 1/20 0.35
▸ FES P07332 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ IP6K1 Q92551 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34

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 0.87 JAK2 (0.35) SYKCHRM4JAK2ALDH1A1HSD17B10
SCHEMBL30984928 0.79 HSD17B10 (0.39) ALDH1A1HSD17B10PARP1ROCK2IP6K1
SCHEMBL30985167 0.79 SOS1 (0.39) HSD17B10PARP1ROCK2IP6K1PDE3B
SCHEMBL30984964 0.78 CYP3A4 (0.36) SYKCHRM4JAK2ALDH1A1HSD17B10
SCHEMBL25937317 0.78 HSD17B10 (0.53) SYKALDH1A1HSD17B10PARP1PRKCI
SCHEMBL30985068 0.73 CRBN (0.44) —
SCHEMBL25141632 0.71 MAPT (0.48) ALDH1A1PARP1CYP3A4ROCK2MAPT
SCHEMBL30544653 0.71 TIPARP (0.45) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL31542352 0.69 EGFR (0.39) —
SCHEMBL25134014 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1POLB

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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