SCHEMBL21170397

SCHEMBL21170397

C=C(N)c1cc(F)cc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.38
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
TNF P01375 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL12287294 0.90 SCN9A (0.40) IL1BFPR2SCN9ATNFPSEN1
SCHEMBL21170213 0.84 IL1B (0.37) IL1BFPR2SCN9ATNFNPC1
SCHEMBL21170415 0.82 IL1B (0.36) IL1BFPR2SCN9ATNFNPC1
SCHEMBL21170232 0.81 IL1B (0.37) IL1BTNFNPC1RAB9AMEN1
SCHEMBL2561290 0.81 FPR2 (0.40) IL1BFPR2SCN9ANPC1RAB9A
SCHEMBL12288241 0.81 NPC1 (0.48) IL1BTNFNPC1RAB9AMEN1
SCHEMBL21170273 0.81 IL1B (0.35) IL1BTNFNPC1RAB9AMEN1
SCHEMBL12288231 0.81 NPC1 (0.51) IL1BTNFNPC1RAB9AMEN1
SCHEMBL21170253 0.80 IL1B (0.36) IL1BFPR2SCN9ATNFNPC1
SCHEMBL2558289 0.80 SCN9A (0.41) IL1BFPR2SCN9ANPC1RAB9A

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
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed