SCHEMBL7424006

SCHEMBL7424006

CN[C@H]1CCN(Cc2ccc(C#N)s2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
KLK6 Q92876 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FNTA P49354 7/20 0.35
FNTB P49356 7/20 0.35
PGGT1B P53609 7/20 0.35
KCNH2 Q12809 2/20 0.35
GRM5 P41594 1/20 0.32
F2 P00734 1/20 0.32
CYP3A4 P08684 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
SCHEMBL7422884 0.82 FNTA (0.50) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8425435 0.81 F10 (0.60) F10KLK6F2
SCHEMBL27478655 0.81 JAK2 (0.35) F10KLK6JAK2JAK1TYK2
SCHEMBL7420970 0.81 JAK2 (0.35) F10KLK6JAK2JAK1TYK2
SCHEMBL7429676 0.81 JAK2 (0.35) F10KLK6JAK2JAK1TYK2
SCHEMBL2331612 0.81 F10 (0.42) F10KLK6JAK2JAK1TYK2
SCHEMBL7422879 0.80 SRC (0.46)
Hydrochloric Acid SCHEMBL2325599 0.80 JAK2 (0.34) F10KLK6JAK2JAK1TYK2
SCHEMBL7420434 0.79 JAK2 (0.34) F10KLK6JAK2JAK1TYK2
SCHEMBL7423307 0.77 F10 (0.39) F10FNTAFNTBPGGT1BKCNH2

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-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