SCHEMBL21170273

SCHEMBL21170273

C=C(N)c1cc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)c[nH]c1=N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.35
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
TNF P01375 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21170213 0.85 IL1B (0.37) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170415 0.83 IL1B (0.36) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170397 0.81 IL1B (0.38) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170269 0.79 IL1B (0.33) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170253 0.79 IL1B (0.36) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170493 0.79 IL1B (0.37) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170404 0.79 IL1B (0.40) IL1BTNFNPC1RAB9A
SCHEMBL21170265 0.78 IL1B (0.36) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170495 0.78 IL1B (0.35) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170489 0.77 IL1B (0.36) IL1BPSEN1PSEN2APH1BNCSTN

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