SCHEMBL23958786

SCHEMBL23958786

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.32
P2RX7 Q99572 4/20 0.32
AR P10275 1/20 0.31
SSTR5 P35346 3/20 0.31
KCNH2 Q12809 2/20 0.31
GPR6 P46095 1/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CFTR P13569 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
SCHEMBL23958656 0.88 SSTR5 (0.34) IRAK4SSTR5KCNH2HRH1CCR3
SCHEMBL23958966 0.87 GABRA5 (0.33) IRAK4AR
SCHEMBL23958810 0.85 CFTR (0.34) P2RX7LMNAMAPTCFTR
SCHEMBL25687266 0.83 CFTR (0.34) ARSSTR5KCNH2GPR6LMNA
SCHEMBL25687285 0.83 CNR1 (0.34) ARSSTR5KCNH2GPR6LMNA
SCHEMBL30006884 0.83 CNR1 (0.34) ARSSTR5KCNH2GPR6LMNA
SCHEMBL25280037 0.83 CFTR (0.34) ARSSTR5KCNH2GPR6LMNA
SCHEMBL23958990 0.83 CFTR (0.33) P2RX7KCNH2LMNAMAPTCFTR
SCHEMBL23958753 0.82 CFTR (0.32) CFTR
SCHEMBL23958726 0.81 CFTR (0.35) NR1I2LMNAMAPTCFTR

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