SCHEMBL28262264

SCHEMBL28262264

Cc1cc(Oc2ccccc2)cc(F)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 3/20 0.47
▸ LCK P06239 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ CSK P41240 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ TNKS O95271 1/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL20558357 0.89 PARP10 (0.55) PARP10CTNNB1TNKSPARP15PARP14
SCHEMBL28949675 0.85 HPGD (0.39) PARP10NPC1HPGDCRHBPRAB9A
SCHEMBL28949678 0.81 RHEB (0.40) NPC1HPGDCRHBPRAB9ACRHR2
SCHEMBL2380185 0.77 AKR1C3 (0.46) PARP10NPC1HPGDCRHBPRAB9A
SCHEMBL14992586 0.76 HPGD (0.47) PARP10NPC1HPGDCRHBPRAB9A
SCHEMBL18956930 0.76 MEN1 (0.44) NPC1RAB9ARHEB
SCHEMBL27898917 0.73 NPC1 (0.45) NPC1HPGDCRHBPRAB9ACRHR2
SCHEMBL28260959 0.73 PARP10 (0.56) PARP10LCKSRCCSKCTNNB1
SCHEMBL27486214 0.73 PARP10 (0.61) PARP10CTNNB1TNKSPARP15PARP14
SCHEMBL23104947 0.73 MCL1 (0.42) HPGD

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
CN-109071563-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2018-12-21 — — CN disclosed
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