SCHEMBL29653444

SCHEMBL29653444

CC(C)(C)OC(=O)NC1CCN(c2ccncc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.52
▸ SKP1 P63208 1/20 0.52
▸ SKP2 Q13309 1/20 0.52
▸ DRD2 P14416 3/20 0.45
▸ CTSK P43235 2/20 0.45
▸ KDM4D Q6B0I6 5/20 0.44
▸ SUV39H2 Q9H5I1 1/20 0.44
▸ KCNA3 P22001 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ DRD3 P35462 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OGFRL1 Q5TC84 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL24456772 1.00 CKS1B (0.52) CKS1BSKP1SKP2DRD2CTSK
SCHEMBL29652934 0.94 PIM1 (0.49) CKS1BSKP1SKP2CTSKKDM4D
SCHEMBL29652975 0.94 PIM1 (0.49) CKS1BSKP1SKP2CTSKKDM4D
SCHEMBL24456502 0.94 PIM1 (0.49) CKS1BSKP1SKP2CTSKKDM4D
SCHEMBL29653231 0.89 PDE10A (0.43) CKS1BSKP1SKP2DRD2CTSK
SCHEMBL13156552 0.86 CKS1B (0.52) CKS1BSKP1SKP2DRD2CTSK
SCHEMBL24456395 0.84 CKS1B (0.46) CKS1BSKP1SKP2
SCHEMBL21056786 0.83 CKS1B (0.53) CKS1BSKP1SKP2DRD2CTSK
SCHEMBL16522585 0.82 MAP4K4 (0.51) CKS1BSKP1SKP2DRD2KDM4D
SCHEMBL15770317 0.82 CKS1B (0.48) CKS1BSKP1SKP2DRD2CTSK

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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