SCHEMBL31269114

SCHEMBL31269114

CC1(Oc2ncnc3c2ncn3Cc2ccccc2)CCC1.[H-].[Na+]

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A known ✓ P29274 1/20 0.51
▸ PDE4A known ✓ P27815 1/20 0.46
▸ PDE4B known ✓ Q07343 1/20 0.46
▸ PDE4C known ✓ Q08493 1/20 0.46
▸ PDE4D known ✓ Q08499 1/20 0.46
▸ SCN9A known ✓ Q15858 1/20 0.46
▸ DAPK1 P53355 1/20 0.60
▸ HPGD P15428 1/20 0.56
▸ PI4KA P42356 1/20 0.51
▸ PI4K2B Q8TCG2 1/20 0.51
▸ PI4K2A Q9BTU6 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.50
▸ HTT P42858 1/20 0.45
▸ NAE1 Q13564 1/20 0.44
▸ UBA3 Q8TBC4 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL30983811 0.98 DAPK1 (0.62) DAPK1HPGDADORA2API4KAPI4K2B
SCHEMBL30983894 0.93 DAPK1 (0.65) DAPK1HPGDADORA2API4KAPI4K2B
SCHEMBL30983919 0.79 DAPK1 (0.47) DAPK1HPGDADORA2API4KAPI4K2B
9-Benzyl-6-Methoxy-9H-Purine SCHEMBL28939425 0.78 HPGD (0.77) DAPK1HPGDADORA2API4KAPI4K2B
SCHEMBL30984101 0.77 ADORA2A (0.56) ADORA2A
SCHEMBL30984102 0.77 ADORA2A (0.56) ADORA2A
Lithium SCHEMBL30983994 0.76 ADORA2A (0.55) ADORA2A
SCHEMBL17115735 0.76 DAPK1 (1.00) DAPK1HPGDADORA2API4KAPI4K2B
SCHEMBL30984045 0.75 DAPK1 (0.43) DAPK1HPGDPDE4APDE4BPDE4C
SCHEMBL30983852 0.72 MEN1 (0.42) DAPK1HPGDHRH4SCN9AHTT

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
EP-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 — — EP disclosed
WO-2024201368-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS ASTRAZENECA AB (SE) 2024-10-03 — — WO disclosed
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