SCHEMBL21170095

SCHEMBL21170095

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 2/20 0.39
SUCNR1 Q9BXA5 4/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
RIPK1 Q13546 3/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BRD4 O60885 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SCN9A Q15858 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL21170046 0.87 RIPK1 (0.40) TP53BP1RIPK1HDAC6BRD4
SCHEMBL21170174 0.85 GPR52 (0.42) RIPK1HDAC6
SCHEMBL12289949 0.85 UBE2M (0.39) TP53BP1SUCNR1ACACBACACAUBE2M
SCHEMBL21170152 0.85 RIPK1 (0.41) RIPK1HDAC6
SCHEMBL21170091 0.82 MAP4K4 (0.38) RIPK1
SCHEMBL21170310 0.81 ADORA1 (0.41) RIPK1GAA
SCHEMBL21170039 0.79 CRBN (0.44) POLB
SCHEMBL21170038 0.79 DPP4 (0.42) SCN9A
SCHEMBL12287723 0.79 DPP4 (0.42) SCN9A
SCHEMBL12287289 0.79 DPP4 (0.42) SCN9A

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