SCHEMBL21170477

SCHEMBL21170477

C=C(N)c1cncc(-c2ccc(NCC(C)(C)c3ccc(P)cc3)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.35
TNF P01375 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
SCHEMBL21170105 0.88 IL1B (0.36) IL1BTNF
SCHEMBL21170232 0.82 IL1B (0.37) IL1BTNF
SCHEMBL12287727 0.80 FPR2 (0.39) IL1B
SCHEMBL21170357 0.78 IL1B (0.35) IL1B
SCHEMBL21170233 0.78 IL1B (0.37) IL1BTNF
SCHEMBL21170397 0.78 IL1B (0.38) IL1BTNF
SCHEMBL12287310 0.75 CYP11B1 (0.39) IL1B
SCHEMBL21170404 0.73 IL1B (0.40) IL1BTNF
SCHEMBL21170492 0.73 IL1B (0.34) IL1BTNF
SCHEMBL21170344 0.73 IL1B (0.37) IL1BTNF

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