SCHEMBL21170087

SCHEMBL21170087

CC(CNc1ccc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)nn1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 7/20 0.41
▸ PSEN2 P49810 7/20 0.41
▸ APH1B Q8WW43 7/20 0.41
▸ NCSTN Q92542 7/20 0.41
▸ APH1A Q96BI3 7/20 0.41
▸ PSENEN Q9NZ42 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK14 Q16539 3/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ MAPK13 O15264 1/20 0.34

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
SCHEMBL21170217 0.86 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170452 0.84 PPM1D (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170042 0.80 PARP1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12287887 0.80 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170054 0.80 ROCK2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170460 0.78 AKT1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170243 0.77 MAPK1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170135 0.77 MAPK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170220 0.77 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22191096 0.76 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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
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