SCHEMBL30720004

SCHEMBL30720004

O=C1NCCn2c1c(F)c1cc(C(F)(F)F)cnc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
PARP10 Q53GL7 2/20 0.34
PARP11 Q9NR21 1/20 0.34
PIM1 P11309 12/20 0.34
P2RX7 Q99572 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL30720013 0.88 PARP1 (0.47) PARP1PARP10PARP11PIM1P2RX7
SCHEMBL30104836 0.83 PARP1 (0.38) PARP1PARP10PARP11PIM1PSEN1
SCHEMBL24640536 0.74 CDK4 (0.42) PARP1P2RX7
SCHEMBL24640571 0.74 PARP1 (0.47) PARP1PARP10PARP11P2RX7
SCHEMBL30104820 0.74 ADRB1 (0.35)
SCHEMBL30104783 0.68 POLB (0.32)
SCHEMBL24639703 0.66 HTR2C (0.43) PARP1PARP10PARP11PSEN1PSEN2
SCHEMBL24640292 0.64 OGA (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31244671 0.63 HTR2A (0.36)
SCHEMBL30104795 0.63 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed