SCHEMBL28618092

SCHEMBL28618092

CC(C)(C)OC(=O)N1CCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.47
JAK1 P23458 7/20 0.47
PARP1 P09874 11/20 0.47
IRAK4 Q9NWZ3 1/20 0.41
PARP2 Q9UGN5 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL28607992 0.94 PARP1 (0.44) JAK2JAK1PARP1
SCHEMBL28607007 0.94 PARP1 (0.48) JAK2JAK1PARP1IRAK4PARP2
SCHEMBL2270749 0.89 CCNT1 (0.41) JAK2JAK1PARP1
SCHEMBL2268203 0.84 PARP1 (0.45) PARP1PARP2FGFR1FGFR2FGFR4
SCHEMBL27908945 0.83 EGFR (0.38) JAK2JAK1
SCHEMBL27908947 0.83 GPR119 (0.41) JAK2JAK1
SCHEMBL30158077 0.81 PARP1 (0.52) PARP1IRAK4PARP2
SCHEMBL27759081 0.81 PARP1 (0.42) PARP1IRAK4PARP2
SCHEMBL2264886 0.80 PARP1 (0.42) PARP1IRAK4PARP2FGFR1FGFR2
SCHEMBL2267407 0.80 PARP1 (0.46) PARP1IRAK4PARP2

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
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
CN-113288892-A Application of poly ADP ribose polymerase inhibitor in resisting coronavirus 甫康(上海)健康科技有限责任公司 2021-08-24 CN disclosed