SCHEMBL901912

SCHEMBL901912

CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(Cl)cc4ccccc34)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
ACHE P22303 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
KIT P10721 2/20 0.46
LRRK2 Q5S007 1/20 0.46
GBA1 P04062 2/20 0.44
MAP4K4 O95819 1/20 0.44
POLB P06746 1/20 0.44
USP30 Q70CQ3 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
BACE1 P56817 1/20 0.41
WNT3A P56704 1/20 0.41
RET P07949 1/20 0.41
PGK1 P00558 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
SCHEMBL1704938 0.87 CKS1B (0.40) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL901573 0.85 MAPK1 (0.42) CKS1BSKP1SKP2LRRK2POLB
SCHEMBL1705250 0.84 ACHE (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL902751 0.83 CKS1B (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL901704 0.82 CKS1B (0.48) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL1704806 0.81 CKS1B (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL1704246 0.81 CKS1B (0.45) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL3443191 0.81 CKS1B (0.64) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL29157436 0.79 LRRK2 (0.54) CKS1BSKP1SKP2GPR119LRRK2
SCHEMBL902996 0.78 CKS1B (0.46) CKS1BSKP1SKP2ACHEGPR119

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed