SCHEMBL1704583

SCHEMBL1704583

Cc1cc(Nc2cccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)nn1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
JAK2 O60674 3/20 0.47
JAK3 P52333 3/20 0.47
GPR119 Q8TDV5 2/20 0.44
PTK2 Q05397 2/20 0.43
KIT P10721 2/20 0.42
KARS1 Q15046 2/20 0.41
PDE4D Q08499 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
VCP P55072 1/20 0.41
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL1704829 0.89 KARS1 (0.43) ADORA2AJAK2JAK3KARS1ALDH1A1
SCHEMBL1705277 0.84 JAK2 (0.44) JAK2JAK3GPR119PTK2ALDH1A1
SCHEMBL902983 0.82 KARS1 (0.64) ADORA2AJAK2JAK3GPR119PTK2
SCHEMBL1704989 0.82 NAMPT (0.44)
SCHEMBL902237 0.80 KARS1 (0.67) ADORA2AJAK2JAK3KARS1PDE4D
SCHEMBL902759 0.78 ADORA2A (0.60) ADORA2AJAK2JAK3GPR119KIT
SCHEMBL20516341 0.74 ADORA2A (0.53) ADORA2AJAK2JAK3GPR119KIT
SCHEMBL30791110 0.74 ADORA2A (0.53) ADORA2AJAK2JAK3GPR119KIT
SCHEMBL901697 0.74 KARS1 (0.65) KARS1CKS1BSKP1SKP2
SCHEMBL1704903 0.73 GRM1 (0.45)

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