Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28862497

Cc1cccc(-c2cnn(C)c2)c1.N

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.56
PFKFB3 Q16875 2/20 0.54
DYRK1A Q13627 2/20 0.47
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
DYRK2 Q92630 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
HIPK3 Q9H422 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
FYN P06241 1/20 0.45
IRAK4 Q9NWZ3 4/20 0.45
IRAK1 P51617 3/20 0.45
AXL P30530 2/20 0.44
MET P08581 1/20 0.44
METAP2 P50579 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL12688 0.98 TEK (0.58) TEKPFKFB3DYRK1ACLK1CLK2
Ammonia Solution, Strong SCHEMBL18398436 0.81 FLT3 (0.56) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL19259764 0.80 DYRK1A (0.48) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL17809818 0.79 ERN1 (0.45) TEKDYRK1AAXLMETAP2LRRK2
Ammonia Solution, Strong SCHEMBL18398465 0.79 KDR (0.55) PFKFB3DYRK1AAXLMETAP2
SCHEMBL24289812 0.79 KMT2A (0.44) TEKPFKFB3METAP2
SCHEMBL19662770 0.79 DYRK1A (0.47) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL22445210 0.79 FYN (0.60) PFKFB3DYRK1ACLK1CLK2HIPK1
SCHEMBL30269944 0.79 AURKB (0.54) DYRK1ACLK1CLK2HIPK1DYRK2
SCHEMBL8376983 0.79 KCNH2 (0.58) DYRK1ACLK1CLK2HIPK1DYRK2

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
CN-114174293-A 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2022-03-11 CN disclosed