SCHEMBL21281413

SCHEMBL21281413

COC(=O)c1cn(C2CC(N(C)C(=O)OC(C)(C)C)C2)c2nc(N3CCN(c4ccc(SC)cc4)CC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.38
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ CSF1R P07333 1/20 0.30

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
SCHEMBL21281415 0.90 CPB2 (0.34) AURKAPDPK1AURKBPDE10APIK3R1
SCHEMBL22822830 0.89 GPR119 (0.39) GPR119AURKAPDPK1AURKBPDE10A
SCHEMBL21285555 0.84 KMT2A (0.35) GPR119FAAHNPC1RAB9AKMT2A
SCHEMBL21285505 0.83 PDE10A (0.38) GPR119AURKAPDPK1AURKBPDE10A
SCHEMBL22801933 0.82 RET (0.36) GPR119AURKAPDPK1AURKBPDE10A
SCHEMBL22822876 0.82 RET (0.36) GPR119AURKAPDPK1AURKBPDE10A
SCHEMBL22801916 0.81 GPR119 (0.40) GPR119PDE10A
SCHEMBL22801958 0.81 GPR119 (0.40) GPR119PDE10A
SCHEMBL21269509 0.80 AURKA (0.34) AURKAPDPK1AURKBPIK3R1PIK3CA
SCHEMBL21269506 0.80 AURKA (0.34) AURKAPDPK1AURKBPIK3R1PIK3CA

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-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP disclosed
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