SCHEMBL21170046

SCHEMBL21170046

CC(CNc1ccc(-c2cccc(C(=O)NCCCN)c2)nn1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
EPHX2 P34913 3/20 0.38
ALOX5 P09917 2/20 0.38
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
BCR P11274 1/20 0.37
BRD4 O60885 2/20 0.36
TP53BP1 Q12888 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21170152 0.95 RIPK1 (0.41) RIPK1HDAC6EPHX2ALOX5SOAT2
SCHEMBL21170174 0.90 GPR52 (0.42) RIPK1HDAC6ABL1EPHX2ALOX5
SCHEMBL21170095 0.87 TP53BP1 (0.39) RIPK1HDAC6BRD4TP53BP1
SCHEMBL21170091 0.86 MAP4K4 (0.38) RIPK1ABL1BCR
SCHEMBL21170038 0.85 DPP4 (0.42) SOAT2SOAT1
SCHEMBL12287723 0.85 DPP4 (0.42) SOAT2SOAT1
SCHEMBL12287289 0.85 DPP4 (0.42) SOAT2SOAT1
SCHEMBL21170310 0.85 ADORA1 (0.41) RIPK1
SCHEMBL14990586 0.82 HDAC6 (0.40) HDAC6ABL1EGFRSRCSOAT2
SCHEMBL21170185 0.82 TRPM8 (0.41) SOAT2SOAT1SMN1; SMN2

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