SCHEMBL7420434

SCHEMBL7420434

N#Cc1ccc(CN2CC[C@@H](CN)C2=O)s1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KLK6 Q92876 2/20 0.32
F10 P00742 1/20 0.32
ACE P12821 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM5 P41594 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL7420970 0.84 JAK2 (0.35) JAK2JAK1TYK2JAK3KLK6
SCHEMBL7429676 0.84 JAK2 (0.35) JAK2JAK1TYK2JAK3KLK6
Hydrochloric Acid SCHEMBL2325599 0.83 JAK2 (0.34) JAK2JAK1TYK2JAK3KLK6
SCHEMBL27478655 0.82 JAK2 (0.35) JAK2JAK1TYK2JAK3KLK6
SCHEMBL7420430 0.80 KLK6 (0.34) JAK2JAK1TYK2JAK3KLK6
SCHEMBL7424006 0.79 F10 (0.38) JAK2JAK1TYK2JAK3KLK6
SCHEMBL7417120 0.76 KCNH2 (0.34) F10ACEKCNH2
SCHEMBL7421074 0.76 TRPA1 (0.37) F10KCNH2
SCHEMBL7422884 0.73 FNTA (0.50) KCNH2
SCHEMBL7422879 0.72 SRC (0.46)

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-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed