SCHEMBL12287803

SCHEMBL12287803

Cc1ccc(C2(CNc3ccc(-c4ccc5[nH]c(=O)[nH]c5c4)nn3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ GRIA1 P42261 3/20 0.35
▸ CACNG8 Q8WXS5 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32

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
SCHEMBL14991117 0.90 GRIA1 (0.38) MAPTGRIA1MEN1KMT2APDE3B
SCHEMBL12289961 0.78 PDE3B (0.41) MAPTGRIA1CACNG8PDE3BPDE3A
SCHEMBL12288210 0.76 KCNH2 (0.49) MAPTGRIA1CACNG8PDE3BPDE3A
SCHEMBL12289966 0.75 HSD11B1 (0.41) P2RX7IL1B
SCHEMBL12286536 0.72 JAK2 (0.39) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL12289963 0.71 JAK2 (0.46) MAPK1PRKAA1PIM1
SCHEMBL22191096 0.70 PSEN1 (0.52) MAPTGRIA1MEN1KMT2APDE3B
SCHEMBL12289929 0.70 KCNA5 (0.39) MAPTGRIA1CACNG8PDE3BPDE3A
SCHEMBL2562421 0.69 PSEN1 (0.40) MAPTGRIA1MEN1KMT2APDE3B
SCHEMBL12288220 0.69 JAK2 (0.38) MEN1KMT2ANPC1RAB9AMAPK1

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
WO-2011133882-A1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 — — WO disclosed
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