SCHEMBL30254584

SCHEMBL30254584

Cn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(CC4CN(C(=O)OC(C)(C)C)C4)n3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.41
▸ PIK3CA P42336 6/20 0.37
▸ PIK3R1 P27986 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ MTOR P42345 2/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL25733434 1.00 PIK3CD (0.41) PIK3CDPIK3CAPIK3R1HDAC3HDAC4
SCHEMBL25231922 0.90 PIK3CD (0.44) PIK3CDPIK3CAHDAC3HDAC4HDAC1
SCHEMBL25421195 0.87 PIK3CD (0.40) PIK3CDHDAC3HDAC4HDAC1HDAC7
SCHEMBL25229681 0.85 PIK3CD (0.43) PIK3CDPIK3CAPIK3R1HDAC3HDAC4
SCHEMBL31730923 0.84 PIK3CD (0.45) PIK3CDPIK3CAPIK3R1HDAC3HDAC4
SCHEMBL25733410 0.84 PIK3CD (0.45) PIK3CDPIK3CAPIK3R1HDAC3HDAC4
SCHEMBL25733559 0.84 GPR119 (0.43) PIK3CDPIK3CAHDAC3HDAC4HDAC1
SCHEMBL31730879 0.84 GPR119 (0.43) PIK3CDPIK3CAHDAC3HDAC4HDAC1
SCHEMBL30254686 0.83 KDM4E (0.38) PIK3CDHDAC3HDAC4HDAC1HDAC7
SCHEMBL25733452 0.83 KDM4E (0.38) PIK3CDHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 — — CN disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
EP-4161519-A1 PURINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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