SCHEMBL1704582

SCHEMBL1704582

CC(C)(C)OC(=O)C[C@@H](Cc1ccccc1)C(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.53
ACHE P22303 1/20 0.41
WNT3A P56704 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SYK P43405 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL1704395 0.95 KARS1 (0.53) KARS1ACHEWNT3ATBK1SYK
SCHEMBL1704481 0.91 KARS1 (0.55) KARS1ACHEWNT3ACKS1BSKP1
SCHEMBL1704577 0.90 KARS1 (0.56) KARS1ACHEWNT3ACKS1BSKP1
SCHEMBL1704636 0.90 KARS1 (0.52) KARS1ACHEWNT3ACKS1BSKP1
SCHEMBL1704353 0.89 KARS1 (0.55) KARS1ACHEWNT3ACKS1BSKP1
SCHEMBL1704730 0.88 KARS1 (0.55) KARS1WNT3ATBK1GPR119SYK
SCHEMBL1704239 0.87 KARS1 (0.56) KARS1ACHEWNT3ATBK1
SCHEMBL902792 0.86 KARS1 (0.53) KARS1WNT3ATBK1GPR119SYK
SCHEMBL902958 0.86 KARS1 (0.51) KARS1ACHEWNT3ASYKCCNT1
SCHEMBL1704910 0.86 KARS1 (0.55) KARS1WNT3ATBK1GPR119SYK

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed