SCHEMBL21170374

SCHEMBL21170374

C=Cc1cc(-c2ccc(NC(C)(C)c3ccccc3)nn2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KCNH2 Q12809 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL12288275 0.77 NPC1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12288272 0.75 GPR55 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170354 0.74 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170325 0.73 NPC1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12288295 0.73 GSK3B (0.49) AKT1PIM1PIM3
SCHEMBL12287334 0.72 KDR (0.43) PIK3CAPIM1PIM3
SCHEMBL12288288 0.71 VNN1 (0.40)
SCHEMBL12288286 0.71 VNN1 (0.47)
SCHEMBL21170097 0.70 CDC7 (0.33) PIM1
SCHEMBL2562918 0.64 ALDH1A1 (0.51) GPR55

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