SCHEMBL23584658

SCHEMBL23584658

CC(C)C(=O)Nc1ncnc2c1ccn2[C@H]1CC[C@@H](CN2CC(F)(F)CC23CCN(C(=O)OC(C)(C)C)CC3)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.37
▸ GPR119 Q8TDV5 6/20 0.36
▸ PRMT5 O14744 2/20 0.35
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SRC P12931 3/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL23584762 0.88 CNR2 (0.39) CNR2GPR119PRMT5SRCEGFR
SCHEMBL23584786 0.88 PRMT5 (0.47) CNR2GPR119PRMT5SRCEGFR
SCHEMBL22435021 0.84 PRMT5 (0.35) CNR2GPR119PRMT5CYP3A4CYP2C9
SCHEMBL19343960 0.84 PRMT5 (0.35) CNR2GPR119PRMT5CYP3A4CYP2C9
SCHEMBL23584649 0.82 PRMT5 (0.32) CNR2PRMT5
SCHEMBL25047907 0.82 GPR119 (0.39) CNR2GPR119PRMT5CCNA2CDK2
SCHEMBL25047504 0.79 JAK3 (0.40) CNR2GPR119PRMT5CCNA2CDK2
SCHEMBL25048811 0.77 GPR119 (0.40) CNR2GPR119PRMT5SRCEGFR
SCHEMBL19344204 0.76 PRMT5 (0.39) CNR2GPR119PRMT5CYP3A4CYP2C9
SCHEMBL23584748 0.76 GPR119 (0.40) CNR2GPR119PRMT5CNR1JAK3

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-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
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