SCHEMBL13575666

SCHEMBL13575666

Bc1nc2n(c1-c1ccccc1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
GBA1 P04062 2/20 0.45
NR1H2 P55055 1/20 0.45
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PDK2 Q15119 2/20 0.42
KIT P10721 1/20 0.41
SCD5 Q86SK9 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TSHR P16473 1/20 0.41
ACKR3 P25106 2/20 0.41
LIPG Q9Y5X9 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
SCHEMBL10095059 0.87 CKS1B (0.47) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL10095061 0.87 CKS1B (0.47) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL10095062 0.85 P2RX7 (0.59) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL20139779 0.80 TSHR (0.62) NR1H2MAPK1TSHR
SCHEMBL20157515 0.80 PDK2 (0.64) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL1173978 0.78 CKS1B (0.49) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL20140942 0.75 CKS1B (0.49) CKS1BSKP1SKP2GBA1MAPK1
SCHEMBL13867707 0.74 CKS1B (0.48) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL1232845 0.74 GBA1 (0.46) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL10095056 0.74 GPR119 (0.43) CKS1BSKP1SKP2NR1H2MAPK1

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
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed