SCHEMBL30083205

SCHEMBL30083205

COc1cc(-c2cnn(C)c2)cc([C@@H](C)NC(=O)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.44
KIT P10721 1/20 0.42
LRRK2 Q5S007 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK1 P49759 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
TP53 P04637 1/20 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
SCHEMBL30952659 0.90 RET (0.45) RETLRRK2MAPTSMN1; SMN2GPR119
SCHEMBL30952662 0.90 RET (0.45) RETLRRK2MAPTSMN1; SMN2GPR119
SCHEMBL30952686 0.90 RET (0.45) RETLRRK2MAPTSMN1; SMN2GPR119
SCHEMBL24731960 0.89 LCK (0.44) KITCLK1
SCHEMBL31218060 0.89 LCK (0.44) KITCLK1
SCHEMBL30083171 0.89 RET (0.46) RETKITLRRK2GPR119
SCHEMBL30083278 0.87 RET (0.46) RETMAPTGPR119TP53
SCHEMBL32688684 0.87 CLK1 (0.40) KITCLK1
SCHEMBL30952749 0.86 RET (0.42) RETLRRK2GPR119TP53
SCHEMBL32688447 0.86 CLK1 (0.42) KITCLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305022-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-01-17 EP disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 WO disclosed