SCHEMBL10242174

SCHEMBL10242174

Nc1ncnc2c1ccn2C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
ADORA3 P0DMS8 4/20 0.56
ADORA1 P30542 4/20 0.56
PI4KA P42356 3/20 0.56
PI4K2B Q8TCG2 3/20 0.56
PI4K2A Q9BTU6 3/20 0.56
PI4KB Q9UBF8 3/20 0.56
ADORA2B P29275 2/20 0.53
ABL1 P00519 6/20 0.50
EGFR P00533 5/20 0.50
SRC P12931 5/20 0.50
ABL2 P42684 5/20 0.50
MEN1 O00255 1/20 0.50
DAPK3 O43293 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49

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
SCHEMBL16254729 0.86 METTL3 (0.53) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL16236292 0.86 MEN1 (0.50) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL30544051 0.85 PRMT5 (0.53) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL2740574 0.84 ADK (0.48) MEN1ADKPRMT5WDR77
SCHEMBL16237556 0.82 SRC (0.48) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL17830246 0.82 MEN1 (0.49) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL30544119 0.82 MEN1 (0.49) ADORA2AMEN1ADKPRMT5WDR77
SCHEMBL14447403 0.81 MEN1 (0.43) ADORA2API4KBABL1EGFRSRC
SCHEMBL1939828 0.81 PIP4K2A (0.44) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL17818386 0.80 MEN1 (0.48) SRCMEN1MAP4K4RETKDR

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
EP-2766474-B1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDRENS MEDICAL CENTER (US) 2020-10-07 EP disclosed
WO-2019060536-A1 COCRYSTAL FORMS OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL) METHYL SULFAMATE, FORMULATIONS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-03-28 WO disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed