SCHEMBL2576930

SCHEMBL2576930

NC(=O)Cc1cccc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
NPY5R Q15761 2/20 0.33
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRM4 P08173 1/20 0.30
IL1B P01584 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
SCHEMBL16524129 0.90 KCNH2 (0.43) KCNH2NPY5RIL1B
SCHEMBL2575025 0.89 KCNH2 (0.45) KCNH2NPY5RIL1B
SCHEMBL16524173 0.89 KCNH2 (0.42) KCNH2NPY5R
SCHEMBL14734703 0.88 KCNH2 (0.47) KCNH2NPY5RNPC1ALDH1A1MAPT
SCHEMBL14998416 0.88 KCNH2 (0.47) KCNH2NPY5RNPC1ALDH1A1MAPT
SCHEMBL14998433 0.86 KCNH2 (0.42) KCNH2NPY5RNPC1ALDH1A1MAPT
SCHEMBL16524158 0.86 KCNH2 (0.42) KCNH2NPY5RNPC1ALDH1A1MAPT
SCHEMBL2576565 0.85 KCNH2 (0.44) KCNH2NPY5R
SCHEMBL14735839 0.85 KCNH2 (0.44) KCNH2IL1B
SCHEMBL14998430 0.84 KCNH2 (0.41) KCNH2NPY5RNPC1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563365-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2016-04-20 EP claimed
US-8969346-B2 Amino-pyridazine skeletal muscle modulators CYTOKINETICS, INC. (US) 2015-03-03 US claimed
EP-2563365-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE Cytokinetics, Inc. (US) 2013-03-06 EP disclosed
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed