SCHEMBL30621965

SCHEMBL30621965

CC1(NS(=O)(=O)C2CC2)CCN(c2nc(Cl)ncc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.39
▸ BCR P11274 7/20 0.39
▸ HCRTR2 O43614 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SMO Q99835 3/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ACACB O00763 3/20 0.33
▸ PARG Q86W56 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
SCHEMBL29097714 1.00 ABL1 (0.39) ABL1BCRHCRTR2CNR1CNR2
SCHEMBL30621970 0.81 SCN9A (0.34) SMOBRD4PARG
SCHEMBL29097706 0.81 SCN9A (0.34) SMOBRD4PARG
SCHEMBL29097705 0.79 TRPV1 (0.41) SMOPARG
SCHEMBL30621975 0.79 TRPV1 (0.41) SMOPARG
SCHEMBL29097718 0.79 BRD4 (0.59) ABL1BRD4
SCHEMBL31318204 0.76 HCRTR2 (0.39) ABL1BCRHCRTR2CNR1CNR2
SCHEMBL30621967 0.73 PTPN11 (0.46) SMN1; SMN2
SCHEMBL29097712 0.73 PTPN11 (0.46) SMN1; SMN2
SCHEMBL30621978 0.72 HCRTR2 (0.37) ABL1BCRHCRTR2CNR1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745132-A1 PYRIMIDINAMINE NUAK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Technoderma Medicines Inc. (CN) 2026-05-20 — — EP disclosed
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
CN-116903592-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-10-20 — — CN disclosed
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