SCHEMBL30864263

SCHEMBL30864263

Brc1ccn2c(C3CC3)ncc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
KCNH2 Q12809 1/20 0.30

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
SCHEMBL30204424 0.75 KDM4C (0.38) PDE1CKDM4EPDE1APDE1B
SCHEMBL17338962 0.75 KDM4E (0.38) PDE1CKDM4ENPC1MAPK1RAB9A
SCHEMBL31647105 0.74 CA1 (0.38) PDE1CMAPK1PDE1APDE1BAURKA
SCHEMBL16506461 0.72 KDM4E (0.38) KDM4ENPC1MAPK1RAB9A
SCHEMBL30204357 0.71 JMJD6 (0.39) KDM4ENPC1MAPK1RAB9A
SCHEMBL31646629 0.71 KDM1A (0.35) PDE1CKDM4EPDE1APDE1B
SCHEMBL23851626 0.70 PDE1C (0.37) PDE1CKDM4EPDE1APDE1BAURKA
SCHEMBL20049608 0.70 USP30 (0.42) KDM4EAURKAJAK2JAK1KDR
SCHEMBL31647022 0.68 MAPT (0.40) KDM4E
SCHEMBL31646854 0.68 PARG (0.32) PDE1CPDE1APDE1B

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
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed