SCHEMBL24640600

SCHEMBL24640600

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3C(=O)NCC2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 16/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
PARP2 Q9UGN5 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP12 Q9H0J9 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
SCHEMBL30729638 0.88 TIPARP (0.46) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL29088946 0.88 TIPARP (0.46) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL24640582 0.87 HDAC6 (0.42) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL29841987 0.86 MDM2 (0.41) TIPARPMEN1KMT2APARP2PARP1
SCHEMBL24639931 0.84 KRAS (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639909 0.84 KRAS (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24639932 0.84 KRAS (0.44) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640944 0.83 TIPARP (0.45) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640294 0.83 TIPARP (0.45) TIPARPPARP2PARP1CYP2C9CYP2C19
SCHEMBL24640282 0.83 TIPARP (0.45) TIPARPPARP2PARP1CYP2C9CYP2C19

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