SCHEMBL30775503

SCHEMBL30775503

Cc1ncc(-c2nc(C(F)(F)F)ccc2C(N)=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
GAA P10253 1/20 0.41
TGFBR1 P36897 1/20 0.41
PARP1 P09874 3/20 0.38
LMNA P02545 1/20 0.37
HSP90AA1 P07900 3/20 0.36
KCNH2 Q12809 2/20 0.36
RPS6KB1 P23443 1/20 0.36
JAK2 O60674 1/20 0.36
PDE4B Q07343 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIK3CB P42338 1/20 0.35
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL29207870 1.00 SYK (0.41) SYKGAATGFBR1PARP1LMNA
SCHEMBL22440654 0.85 P2RX7 (0.45) GAATGFBR1LMNAKCNH2PDE4B
SCHEMBL22440652 0.82 KDM4E (0.47) SYKGAATGFBR1LMNAKDM4E
SCHEMBL4504523 0.80 JAK2 (0.49) PARP1LMNAHSP90AA1JAK2KMT2A
SCHEMBL28777612 0.77 PARP1 (0.39) SYKPARP1LMNAJAK2KDM4E
SCHEMBL30572236 0.76 LMNA (0.54) GAALMNARPS6KB1
SCHEMBL3550940 0.76 LMNA (0.54) GAALMNARPS6KB1
SCHEMBL27927826 0.74 PARP1 (0.35) GAATGFBR1PARP1LMNAHSP90AA1
SCHEMBL3633773 0.74 P2RX7 (0.40) SYKGAAPARP1LMNAJAK2
SCHEMBL29615806 0.72 ABCC9 (0.39) SYKGAATGFBR1PARP1LMNA

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-113710276-B Benzodiazepine derivatives as RSV inhibitors 英安塔制药有限公司 2024-03-29 CN disclosed