SCHEMBL7424937

SCHEMBL7424937

CC(C)(C)OC(=O)N[C@@]1(Cc2ccnc(C#N)c2)CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KCNH2 Q12809 1/20 0.35
PDE4A P27815 1/20 0.34
RIPK3 Q9Y572 1/20 0.33
ENPP2 Q13822 1/20 0.33
KIT P10721 1/20 0.33
BRAF P15056 1/20 0.33
RET P07949 2/20 0.32
AAK1 Q2M2I8 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CTSL P07711 1/20 0.31
GRM2 Q14416 1/20 0.31
PARP14 Q460N5 1/20 0.31
BUB1 O43683 1/20 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
SCHEMBL7418004 0.85 PPIA (0.41) PPIADDB1CRBNCTSL
SCHEMBL7369194 0.83 PPIA (0.39) PPIARIPK3RETAAK1DDB1
SCHEMBL7428389 0.80 PPIA (0.35) PPIACTSL
SCHEMBL7374454 0.79 PPIA (0.38) PPIAAAK1CCNCCDK8GRM2
SCHEMBL7376570 0.79 PPIA (0.38) PPIAAAK1GRM2
SCHEMBL7375758 0.77 PPIA (0.43) PPIACCNCCDK8GRM2
SCHEMBL7378722 0.77 CTSL (0.39) JAK2JAK1CTSL
SCHEMBL7375460 0.76 PPIA (0.44) PPIACRBNCCNCCDK8
SCHEMBL7374752 0.76 MAP4K4 (0.41) PPIAGRM2
SCHEMBL30694481 0.74 RET (0.44) JAK2JAK1RETTBK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed