SCHEMBL21170465

SCHEMBL21170465

C=CC(N)c1cc(-c2ccc(NCC(C)(C)c3ccc(F)cn3)nn2)ccc1N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL21170327 0.81 IL1B (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2563474 0.76 PDPK1 (0.43)
SCHEMBL12287320 0.76 JAK2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12287611 0.73 HPGDS (0.42)
SCHEMBL21170325 0.72 NPC1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170111 0.69 IL1B (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170213 0.67 IL1B (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170493 0.67 IL1B (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170097 0.67 CDC7 (0.33)
SCHEMBL21170265 0.67 IL1B (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