SCHEMBL24640571

SCHEMBL24640571

O=C1NCCn2c1nc1cc(C(F)(F)F)cnc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.47
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.38
PARP10 Q53GL7 2/20 0.36
PARP11 Q9NR21 1/20 0.36
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
SCN9A Q15858 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL24640536 0.79 CDK4 (0.42) PARP1P2RX7
SCHEMBL30720013 0.77 PARP1 (0.47) PARP1P2RX7PARP10PARP11
SCHEMBL30720004 0.74 PARP1 (0.39) PARP1P2RX7PARP10PARP11
SCHEMBL24640572 0.73 ADRB2 (0.38) POLBADRB2NCF1SCN9A
SCHEMBL30104836 0.71 PARP1 (0.38) PARP1PARP10PARP11
SCHEMBL30141892 0.68 PTGS2 (0.45) POLB
SCHEMBL13173568 0.67 ALDH1A1 (0.38) POLB
SCHEMBL31244795 0.66 POLB (0.35) POLB
SCHEMBL18136193 0.65 POLB (0.52) POLB
SCHEMBL24640538 0.65 HTR2C (0.42) POLBADRB2NCF1SCN9A

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed