SCHEMBL21170217

SCHEMBL21170217

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.36
▸ PSEN2 P49810 5/20 0.36
▸ APH1B Q8WW43 5/20 0.36
▸ NCSTN Q92542 5/20 0.36
▸ APH1A Q96BI3 5/20 0.36
▸ PSENEN Q9NZ42 5/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NAPEPLD Q6IQ20 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33

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
SCHEMBL21170087 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170054 0.82 ROCK2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12287625 0.81 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170042 0.81 PARP1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170452 0.81 PPM1D (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170243 0.80 MAPK1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170135 0.80 MAPK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170453 0.80 NTRK1 (0.44) DYRK1A
SCHEMBL21170338 0.79 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170458 0.79 MAPK1 (0.43) RAB9ADYRK1ACDK9

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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