SCHEMBL23958656

SCHEMBL23958656

Cc1cnc2c(OC3CC3)cc(C(=O)NCC(c3cc(C(C)(C)O)c(F)c(-c4ccc(C(F)(F)F)cc4)n3)C3CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.34
POLB P06746 1/20 0.32
CCR5 P51681 2/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
KCNH2 Q12809 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
EPHX2 P34913 2/20 0.31
MDM2 Q00987 2/20 0.31
RORC P51449 1/20 0.30
LCK P06239 1/20 0.30
SRC P12931 1/20 0.30
TYK2 P29597 1/20 0.30
KDR P35968 1/20 0.30
SYK P43405 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30
MAPK14 Q16539 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL23958966 0.91 GABRA5 (0.33) IRAK4EPHX2
SCHEMBL23958786 0.88 IRAK4 (0.32) SSTR5HRH1CCR3KCNH2IRAK4
SCHEMBL23958874 0.84 CTSA (0.35)
SCHEMBL23958797 0.84 CFTR (0.36) EPHX2
SCHEMBL30007202 0.83 POLB (0.34) SSTR5POLBKCNH2EPHX2LCK
SCHEMBL25687293 0.83 POLB (0.34) SSTR5POLBKCNH2EPHX2LCK
SCHEMBL23958649 0.83 POLB (0.34) SSTR5POLBKCNH2EPHX2LCK
SCHEMBL23958776 0.80 LMNA (0.36) KCNH2IRAK4
SCHEMBL23958652 0.80 LMNA (0.33) POLBKCNH2IRAK4
SCHEMBL25698171 0.79 PDE4B (0.31) IRAK4

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed