SCHEMBL25309989

SCHEMBL25309989

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CC2CCC(C1)N2c1ncc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.46
▸ TIPARP Q7Z3E1 9/20 0.45
▸ MAPT P10636 2/20 0.39
▸ TNKS O95271 2/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AR P10275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ PARP6 Q2NL67 1/20 0.37
▸ PARP15 Q460N3 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP8 Q8N3A8 1/20 0.37
▸ PARP16 Q8N5Y8 1/20 0.37
▸ PARP12 Q9H0J9 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ PARP4 Q9UKK3 1/20 0.37

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
SCHEMBL25309586 0.95 PARP1 (0.46) PARP1TIPARPMAPTTNKSPARP2
SCHEMBL25309503 0.89 PARP1 (0.40) PARP1TIPARPTNKSPARP2ADORA1
SCHEMBL25309986 0.86 PARP1 (0.48) PARP1TIPARPMAPTSMN1; SMN2
SCHEMBL25309968 0.85 PARP1 (0.44) PARP1TIPARPMAPTPARP2SMN1; SMN2
SCHEMBL25309030 0.84 TIPARP (0.63) PARP1TIPARPTNKS
SCHEMBL25309524 0.83 PARP1 (0.48) PARP1TIPARPMAPTSMN1; SMN2
SCHEMBL25310465 0.82 TIPARP (0.46) PARP1TIPARPMAPTTNKSPARP2
SCHEMBL25309608 0.82 PARP1 (0.44) PARP1TIPARPMAPTPARP2SMN1; SMN2
SCHEMBL25309193 0.82 PARP1 (0.51) PARP1TIPARPMAPT
SCHEMBL25309796 0.81 TIPARP (0.67) PARP1TIPARP

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
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO claimed
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
Send feedback