SCHEMBL29656913

SCHEMBL29656913

CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(N)c(N)n1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.48
▸ RET P07949 2/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ EIF2AK4 Q9P2K8 2/20 0.41
▸ GPR119 Q8TDV5 3/20 0.41
▸ HDAC2 Q92769 2/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ ADK P55263 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ NR1H2 P55055 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
▸ PARP1 P09874 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
SCHEMBL25407620 0.84 MAP4K4 (0.44) MAP4K4RETCYP11B2EIF2AK4GPR119
SCHEMBL111508 0.84 MAP4K4 (0.66) MAP4K4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL29545935 0.84 MAP4K4 (0.66) MAP4K4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL22165640 0.81 RET (0.49) MAP4K4RETCYP11B2EIF2AK4GPR119
SCHEMBL114257 0.80 MAP4K4 (0.61) MAP4K4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL29461507 0.80 PDE10A (0.54) MAP4K4CYP11B2GPR119CKS1BSKP1
SCHEMBL25407560 0.78 JAK2 (0.47) MAP4K4RETEIF2AK4GPR119HDAC2
SCHEMBL22470063 0.77 KMT2A (0.43) RETCYP11B2EIF2AK4GPR119EGLN2
SCHEMBL23538928 0.77 RET (0.49) RETCYP11B2EIF2AK4GPR119EGLN2
SCHEMBL22092941 0.77 RET (0.49) RETCYP11B2EIF2AK4GPR119HDAC2

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
CN-109721620-B HPK1 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-13 — — CN disclosed
Send feedback