SCHEMBL29660548

SCHEMBL29660548

CC(C)(C)OC(=O)N1CCCN(c2ccnc(N)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PDK2 Q15119 1/20 0.47
PIK3CA P42336 1/20 0.47
MAP4K4 O95819 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
SUV39H2 Q9H5I1 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
ACHE P22303 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL20507503 1.00 CKS1B (0.50) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL30982158 0.95 MAPT (0.52) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL20507562 0.95 MAPT (0.52) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL5237966 0.83 MAPT (0.57) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL1990159 0.82 CKS1B (0.53) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL30316131 0.82 CKS1B (0.53) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL28735924 0.82 MAPT (0.58) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL15584576 0.82 GPR119 (0.56) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL29660540 0.82 GPR119 (0.56) CKS1BSKP1SKP2MAPTALDH1A1
SCHEMBL3613205 0.82 MAPT (0.57) CKS1BSKP1SKP2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013743-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-06-22 EP disclosed
CN-114502536-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-05-13 CN disclosed