SCHEMBL29653231

SCHEMBL29653231

CC(C)(C)OC(=O)NC1CN(c2ccncc2Br)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ KDM4D Q6B0I6 4/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.38

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
SCHEMBL24456502 0.91 PIM1 (0.49) PDE10ACTSKKDM4DCKS1BSKP1
SCHEMBL29652934 0.91 PIM1 (0.49) PDE10ACTSKKDM4DCKS1BSKP1
SCHEMBL29652975 0.91 PIM1 (0.49) PDE10ACTSKKDM4DCKS1BSKP1
SCHEMBL29653444 0.89 CKS1B (0.52) PDE10ACTSKKDM4DCKS1BSKP1
SCHEMBL24456772 0.89 CKS1B (0.52) PDE10ACTSKKDM4DCKS1BSKP1
SCHEMBL15109521 0.81 MAP4K4 (0.44) PDE10AEPHX2KDM4DCKS1BSKP1
SCHEMBL13457022 0.81 MAP4K4 (0.44) PDE10AEPHX2KDM4DCKS1BSKP1
SCHEMBL4119084 0.79 MAP4K4 (0.41) PDE10AEPHX2KDM4DCKS1BSKP1
SCHEMBL4132744 0.79 MAP4K4 (0.41) PDE10AEPHX2KDM4DCKS1BSKP1
SCHEMBL21847896 0.78 GPR119 (0.55) PDE10AEPHX2KDM4DCKS1BSKP1

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-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 — — WO disclosed
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