SCHEMBL28994432

SCHEMBL28994432

CN(C)CCC(=O)Nc1cnccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.48
▸ HDAC3 O15379 6/20 0.42
▸ HDAC1 Q13547 6/20 0.42
▸ KDM6B O15054 2/20 0.42
▸ KDM4D Q6B0I6 2/20 0.42
▸ KDM4C Q9H3R0 2/20 0.42
▸ EGLN3 Q9H6Z9 1/20 0.42
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 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
SCHEMBL15938666 0.79 HDAC3 (0.66) TERTHDAC3HDAC1HDAC2HDAC4
SCHEMBL10206277 0.78 CA1 (0.46) HDAC3HDAC1KDM6BKDM4DKDM4C
SCHEMBL30079180 0.77 HDAC1 (0.45) HDAC3HDAC1KDM6BKDM4DKDM4C
SCHEMBL7653834 0.77 HDAC1 (0.45) HDAC3HDAC1KDM6BKDM4DKDM4C
SCHEMBL18858136 0.76 MAPK8 (0.39) HDAC3HDAC1KDM6BKDM4DKDM4C
SCHEMBL27200474 0.76 TERT (0.44) TERTKDM6BKDM4DKDM4CEGLN3
SCHEMBL14357917 0.75 HDAC1 (0.46) HDAC3HDAC1KDM6BKDM4DKDM4C
SCHEMBL27147974 0.74 KDM4C (0.43) HDAC3HDAC1KDM6BKDM4DKDM4C
Hydrochloric Acid SCHEMBL29373586 0.73 HDAC1 (0.45) HDAC3HDAC1KDM6BKDM4DKDM4C
Hydrochloric Acid SCHEMBL5749683 0.73 HDAC1 (0.45) HDAC3HDAC1KDM6BKDM4DKDM4C

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-4182323-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 — — EP disclosed
CN-116075307-A Pyridooxazine amino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-05 — — CN disclosed
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