SCHEMBL25899507

SCHEMBL25899507

CCc1nc2ccc(C(C)N3CCN(C)CC3)c(F)c2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KDM4E B2RXH2 4/20 0.37
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL30888874 0.79 KDM4E (0.43) MAPTKDM4EALDH1A1TNKSPARP1
SCHEMBL25897969 0.78 PARP1 (0.58) TNKSPARP1PARP6PARP2PARP3
SCHEMBL31097534 0.78 PARP1 (0.58) TNKSPARP1PARP6PARP2PARP3
SCHEMBL25323194 0.78 PARP1 (0.58) TNKSPARP1PARP6PARP2PARP3
SCHEMBL31097529 0.78 PARP1 (0.58) TNKSPARP1PARP6PARP2PARP3
SCHEMBL25897835 0.76 PARP1 (0.53) TNKSPARP1PARP6PARP2PARP3
SCHEMBL25897833 0.76 PARP1 (0.49) TNKSPARP1PARP6PARP2PARP3
SCHEMBL25897843 0.76 PARP1 (0.48) TNKSPARP1PARP6PARP2PARP3
SCHEMBL25897971 0.76 PARP1 (0.54) TNKSPARP1PARP6PARP2PARP3
SCHEMBL25897841 0.75 PARP1 (0.50) TNKSPARP1PARP6PARP2PARP3

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-2023146960-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-08-03 WO disclosed