SCHEMBL23958784

SCHEMBL23958784

Cc1cnc2c(OC3CC3)cc(C(=O)NCCO)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDE6D O43924 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE6H Q13956 1/20 0.38
MMP13 P45452 1/20 0.38
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
SMPD1 P17405 1/20 0.36
SCD O00767 1/20 0.35
P2RX3 P56373 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
SCHEMBL23958866 0.85 KMT2A (0.51) MEN1KMT2ARXFP1PDE6DPDE6A
SCHEMBL25687961 0.82 ATM (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL30007139 0.81 KMO (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23196004 0.81 KMO (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23905483 0.81 CA12 (0.39) PDE4BPDE4DKMT2ALMNANPC1
SCHEMBL30211305 0.80 PARP1 (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL23905586 0.76 HPGDS (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL23958594 0.75 CCR1 (0.44)
SCHEMBL23905722 0.74 HPGDS (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL23905484 0.71 CCR1 (0.40) RXFP1LMNAPOLB

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed