SCHEMBL1704429

SCHEMBL1704429

CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(N)cc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.46
SYK P43405 2/20 0.43
KIT P10721 1/20 0.43
PIK3CA P42336 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
BRAF P15056 1/20 0.40
GBA1 P04062 1/20 0.39
WNT3A P56704 1/20 0.39
ADORA2A P29274 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
PTPN11 Q06124 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
DYRK2 Q92630 1/20 0.38
MEN1 O00255 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
SCHEMBL1704643 0.87 MAPT (0.47) KARS1SYKKITPIK3CAGPR119
SCHEMBL902044 0.87 KARS1 (0.51) KARS1SYKADORA2AMEN1KMT2A
SCHEMBL901333 0.86 KARS1 (0.65) KARS1SYKKITGPR119CKS1B
SCHEMBL902983 0.79 KARS1 (0.64) KARS1SYKKITPIK3CAGPR119
SCHEMBL1704491 0.79 KARS1 (0.70) KARS1
SCHEMBL1704430 0.77 KARS1 (0.49) KARS1SYKJAK1WNT3ACDK9
SCHEMBL1705093 0.76 KARS1 (0.53) KARS1SYKGPR119
SCHEMBL1704675 0.76 KARS1 (0.51) KARS1SYKGPR119WNT3A
SCHEMBL1704732 0.75 KARS1 (0.52) KARS1SYKGPR119CKS1BSKP1
SCHEMBL902995 0.75 KARS1 (0.67) KARS1SYKGPR119WNT3ACKS1B

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