SCHEMBL30034274

SCHEMBL30034274

Cc1ccc(-c2cnc(NC[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ TDO2 P48775 1/20 0.45
▸ KDM1A O60341 9/20 0.45
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ PTK2 Q05397 2/20 0.43
▸ EGLN2 Q96KS0 1/20 0.43
▸ CETP P11597 2/20 0.43
▸ IRAK1 P51617 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL16797382 0.89 KDM1A (0.49) KDM1A
SCHEMBL24659688 0.88 KDM1A (0.56) IDO1TDO2KDM1AJAK2JAK3
SCHEMBL16808849 0.88 KDM1A (0.56) IDO1TDO2KDM1AJAK2JAK3
SCHEMBL30034262 0.86 KDM1A (0.47) KDM1AJAK2JAK3PTK2EGLN2
SCHEMBL16797266 0.83 KDM1A (0.55) IDO1TDO2KDM1AEGLN2IRAK1
SCHEMBL16797291 0.83 KDM1A (0.58) KDM1AJAK2JAK3PTK2EGLN2
SCHEMBL17427358 0.80 KDM1A (0.52) KDM1AEGLN2CETPGPR119
SCHEMBL24659828 0.79 CETP (0.45) IDO1TDO2KDM1AJAK2JAK3
SCHEMBL20753255 0.79 GPR119 (0.43) KDM1AJAK2JAK3PTK2EGLN2
SCHEMBL17559028 0.78 KDM1A (0.53) KDM1AJAK2JAK3PTK2EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 — — EP disclosed
EP-3080100-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-30 — — EP disclosed
EP-3189038-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-23 — — EP disclosed
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