SCHEMBL30476568

SCHEMBL30476568

CC(C)n1ncc2c(NCCc3ccc(O)cc3)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 3/20 0.41
▸ AHR P35869 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ GBA1 P04062 4/20 0.37
▸ PDE5A O76074 3/20 0.37
▸ PDE6C P51160 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PLK4 O00444 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR7 P34969 1/20 0.35
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL2312913 1.00 GGPS1 (0.41) GGPS1AHRHTTGBA1PDE5A
SCHEMBL2316755 0.85 AHR (0.43) AHRHTTGBA1PDE5ASRC
SCHEMBL2315103 0.81 AHR (0.58) AHR
SCHEMBL19276304 0.79 PIK3CA (0.38) HTTPLK4
SCHEMBL2359854 0.78 CYP1A2 (0.57) AHRHTTPDE5APDE6CPDE4D
SCHEMBL15028171 0.77 TRPV1 (0.38) AHRHTTGBA1HTR7ADORA2A
SCHEMBL20901549 0.75 JAK2 (0.39) HTTGBA1PDE5AHTR7ADORA2A
SCHEMBL2357749 0.75 AHR (0.69) AHRGBA1PDE5APDE6CPDE4D
SCHEMBL21016815 0.74 HTR7 (0.37) HTTGBA1HTR7ADORA2A
SCHEMBL23991713 0.74 AHR (0.38) AHRHTTGBA1PDE5AADORA2A

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
CN-116568802-A In vitro method for preparing mature red blood cells 西湖生物医药科技(上海)有限公司 2023-08-08 — — CN claimed
CN-116568802-A In vitro method for preparing mature red blood cells 西湖生物医药科技(上海)有限公司 2023-08-08 — — CN disclosed
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