SCHEMBL23618678

SCHEMBL23618678

CCOC(=O)c1cnc(Cl)nc1NC12CC3CC(O)(CC3C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ NR2F2 P24468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ PPP1CA P62136 1/20 0.38
▸ NFKB1 P19838 5/20 0.37
▸ FOS P01100 4/20 0.37
▸ JUN P05412 4/20 0.37

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
SCHEMBL23618785 0.90 GSK3A (0.44) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL31465569 0.86 SYK (0.47) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL31612079 0.85 SYK (0.49) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL23618686 0.83 GSK3A (0.37) —
SCHEMBL23625487 0.81 SYK (0.48) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL24786905 0.80 SYK (0.42) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL23618685 0.79 SYK (0.42) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL24786349 0.78 SYK (0.44) SYKKDM4EMAPTNPSR1NR2F2
SCHEMBL24786316 0.78 HSD11B1 (0.47) SYK
SCHEMBL28667854 0.77 SYK (0.44) SYKKDM4EMAPTNPSR1NR2F2

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
WO-2021136463-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-08 — — WO disclosed
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