SCHEMBL29861463

SCHEMBL29861463

Cn1c(=O)c(C2(C)CN(C(=O)OC(C)(C)C)C2)cc2c(Cl)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.36
POLB P06746 1/20 0.35
PIK3CD O00329 6/20 0.35
SOS1 Q07889 4/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
NR1H2 P55055 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL23326447 1.00 MKNK1 (0.36) MKNK1POLBPIK3CDSOS1GABRA1
SCHEMBL23345273 0.75 SOS1 (0.68) SOS1
SCHEMBL22676898 0.75 POLB (0.37) POLBPIK3CD
SCHEMBL29407675 0.75 POLB (0.37) POLBPIK3CD
SCHEMBL24672117 0.75 JAK2 (0.43) PIK3CD
SCHEMBL30556399 0.71 JAK2 (0.42) POLBPIK3CDSOS1
SCHEMBL23326798 0.70 SOS1 (0.46) SOS1
SCHEMBL29861298 0.70 SOS1 (0.46) SOS1
SCHEMBL30692962 0.70 MKNK1 (0.38) MKNK1POLBSOS1ESR2
SCHEMBL22676756 0.69 JAK2 (0.36) POLBPIK3CD

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-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 CN disclosed