SCHEMBL25307515

SCHEMBL25307515

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCC(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.44
▸ TNKS O95271 5/20 0.44
▸ PARP2 Q9UGN5 5/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TIPARP Q7Z3E1 5/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ PARP6 Q2NL67 1/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP8 Q8N3A8 1/20 0.38
▸ PARP16 Q8N5Y8 1/20 0.38
▸ PARP12 Q9H0J9 1/20 0.38

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
SCHEMBL25310465 0.90 TIPARP (0.46) PARP1TNKSPARP2MAPTTIPARP
SCHEMBL25308789 0.84 TNKS (0.51) PARP1TNKSMAPTTIPARPSMN1; SMN2
SCHEMBL25309030 0.82 TIPARP (0.63) PARP1TNKSTIPARPROCK2ROCK1
SCHEMBL25309796 0.80 TIPARP (0.67) PARP1TIPARPROCK2ROCK1
SCHEMBL25309636 0.79 TIPARP (0.59) PARP1TNKSTIPARPROCK2ROCK1
SCHEMBL25309989 0.79 PARP1 (0.46) PARP1TNKSPARP2MAPTTIPARP
SCHEMBL30510755 0.79 PARP1 (0.53) PARP1TNKSPARP2MAPTTIPARP
SCHEMBL25308758 0.79 PARP1 (0.53) PARP1TNKSPARP2MAPTTIPARP
SCHEMBL25309193 0.78 PARP1 (0.51) PARP1MAPTTIPARP
SCHEMBL30510763 0.78 KMT2A (0.57) PARP1MAPTTIPARPSMN1; SMN2

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
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