SCHEMBL3623068

SCHEMBL3623068

NC(=O)c1cnc(NC2CCC(NC(=O)O)CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.41
▸ HCAR3 P49019 1/20 0.40
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ CHEK1 O14757 2/20 0.39
▸ MAPKAPK2 P49137 2/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ MAPK8 P45983 2/20 0.38
▸ LCK P06239 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ TSSK2 Q96PF2 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL3623064 1.00 SYK (0.41) SYKHCAR3IRAK4CHEK1MAPKAPK2
SCHEMBL2177577 0.86 MAPKAPK2 (0.50) IRAK4CHEK1MAPKAPK2SMYD3JAK2
SCHEMBL2177570 0.86 MAPKAPK2 (0.50) IRAK4CHEK1MAPKAPK2SMYD3JAK2
SCHEMBL13463627 0.85 KIT (0.41) SYKHCAR3IRAK4CHEK1MAPKAPK2
SCHEMBL3631179 0.80 IRAK4 (0.56) IRAK4
SCHEMBL3631182 0.80 IRAK4 (0.56) IRAK4
SCHEMBL1937018 0.79 IRAK4 (0.40) SYKHCAR3IRAK4CHEK1MAPKAPK2
SCHEMBL1937016 0.79 IRAK4 (0.40) SYKHCAR3IRAK4CHEK1MAPKAPK2
SCHEMBL26676727 0.77 MCHR1 (0.43) HCAR3IRAK4CHEK1MAPKAPK2SMYD3
SCHEMBL3630689 0.73 ROCK2 (0.59) SYKMAPK8

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-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 — — WO disclosed
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