SCHEMBL21170243

SCHEMBL21170243

CC(CNc1ccc(-c2ccc3[nH]nc(N(C)C)c3c2)nn1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ PSEN1 P49768 5/20 0.35
▸ PSEN2 P49810 5/20 0.35
▸ APH1B Q8WW43 5/20 0.35
▸ NCSTN Q92542 5/20 0.35
▸ APH1A Q96BI3 5/20 0.35
▸ PSENEN Q9NZ42 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL21170135 0.85 MAPK1 (0.38) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170338 0.84 PSEN1 (0.39) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170049 0.83 DYRK1A (0.38) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170454 0.83 CCNT1 (0.36) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170453 0.83 NTRK1 (0.44) MAPK1NTRK1DYRK1A
SCHEMBL21170450 0.82 CDC7 (0.38) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170458 0.82 MAPK1 (0.43) MAPK1RAB9ANTRK1CDK9PIM1
SCHEMBL12290009 0.81 PSEN1 (0.35) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21170346 0.81 MAPK1 (0.48) MAPK1NTRK1CDK9PIM1DYRK1A
SCHEMBL21170217 0.80 PSEN1 (0.36) 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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