SCHEMBL24659828

SCHEMBL24659828

Cc1ccc(-c2nc(C=N)c(NCC3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 5/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ GPR119 Q8TDV5 7/20 0.42
▸ KDM1A O60341 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL30034274 0.79 IDO1 (0.45) CETPJAK2JAK3PTK2GPR119
SCHEMBL24659848 0.78 KDM1A (0.58) KDM1A
SCHEMBL16808834 0.76 KDM1A (0.54) CETPJAK2JAK3PTK2GPR119
SCHEMBL30034262 0.75 KDM1A (0.47) CETPJAK2JAK3PTK2GPR119
SCHEMBL16797361 0.75 KDM1A (0.69) CETPJAK2JAK3PTK2GPR119
SCHEMBL31716198 0.75 TGFBR1 (0.51) CETPGPR119BRD4IDO1TDO2
SCHEMBL16797291 0.75 KDM1A (0.58) CETPJAK2JAK3PTK2GPR119
SCHEMBL24659676 0.74 KDM1A (0.46) CETPJAK2JAK3PTK2GPR119
SCHEMBL17694898 0.74 KDM1A (0.46) CETPJAK2JAK3PTK2GPR119
SCHEMBL17694899 0.74 KDM1A (0.46) CETPJAK2JAK3PTK2GPR119

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-3080100-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-30 — — EP disclosed
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