SCHEMBL21170244

SCHEMBL21170244

Cc1ccc(C(C)(C)CNc2ccc(-c3ccc4nc(N)[nH]c4c3)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.38
▸ IL1B P01584 6/20 0.35
▸ PLAU P00749 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ FABP6 P51161 1/20 0.33
▸ MET P08581 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ ALKBH3 Q96Q83 2/20 0.32
▸ TNF P01375 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
SCHEMBL12287850 0.91 MTOR (0.38) IL1BPLAUHTR3EHTR3BHTR3A
SCHEMBL14990965 0.84 PSEN1 (0.36) IL1BMTORTNF
SCHEMBL14990365 0.82 GAA (0.41) IL1B
SCHEMBL21170312 0.80 ABL1 (0.47) ABL1
SCHEMBL12289987 0.80 JAK2 (0.44) ABL1CHEK2
SCHEMBL21170079 0.79 QPCT (0.39) IL1BTNF
SCHEMBL2561842 0.79 TNKS (0.43) —
SCHEMBL21170272 0.78 IL1B (0.39) IL1BTNF
SCHEMBL21170124 0.77 ABL1 (0.37) IL1BABL1TNF
SCHEMBL12286540 0.77 TYMS (0.37) —

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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