SCHEMBL21170332

SCHEMBL21170332

C=C(c1cccc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)c1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
CHRM4 P08173 1/20 0.32
IL1B P01584 2/20 0.32
BDKRB1 P46663 1/20 0.32
BPTF Q12830 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
SCHEMBL2565340 0.90 MKNK2 (0.48) MKNK2MKNK1BDKRB1
SCHEMBL21170321 0.87 NPC1 (0.33) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL2566237 0.80 TRPV3 (0.45) MKNK2NPC1RAB9AMEN1ALDH1A1
SCHEMBL12289914 0.79 HPGD (0.45) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL12288241 0.79 NPC1 (0.48) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL2561290 0.78 FPR2 (0.40) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL21170414 0.78 FGFR3 (0.36) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL12286731 0.78 VNN1 (0.41) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL12287836 0.78 ACSS2 (0.41) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL12287801 0.77 CRBN (0.45) MEN1KMT2A

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