SCHEMBL31318204

SCHEMBL31318204

CC1(NC(=O)O)CCN(c2nc(Cl)ncc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABL1 P00519 9/20 0.37
▸ BCR P11274 9/20 0.37
▸ HDAC3 O15379 4/20 0.37
▸ HDAC4 P56524 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC7 Q8WUI4 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC9 Q9UKV0 4/20 0.37
▸ HDAC5 Q9UQL6 4/20 0.37
▸ CNR1 P21554 4/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL29097717 0.83 HCRTR2 (0.37) HCRTR2SMN1; SMN2ABL1BCRHDAC3
SCHEMBL30621978 0.83 HCRTR2 (0.37) HCRTR2SMN1; SMN2ABL1BCRHDAC3
SCHEMBL30621967 0.76 PTPN11 (0.46) SMN1; SMN2
SCHEMBL29097712 0.76 PTPN11 (0.46) SMN1; SMN2
SCHEMBL29097721 0.76 HCRTR2 (0.38) HCRTR2SMN1; SMN2ABL1BCRMAPT
SCHEMBL29097714 0.76 ABL1 (0.39) HCRTR2SMN1; SMN2ABL1BCRCNR1
SCHEMBL30621965 0.76 ABL1 (0.39) HCRTR2SMN1; SMN2ABL1BCRCNR1
SCHEMBL23063935 0.76 PTPN11 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20137707 0.74 PANK3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20399762 0.72 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2025011447-A1 PYRIMIDINAMINE NUAK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 — — WO disclosed
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