SCHEMBL18929539

SCHEMBL18929539

C#C/C=C\C(=N/C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ MAOA P21397 3/20 0.32
▸ MAOB P27338 3/20 0.32
▸ EGFR P00533 3/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL19831621 0.76 CES2 (0.36) SMN1; SMN2
SCHEMBL19831560 0.73 MAOB (0.33) ATMPOLBMAOAMAOBRECQL
SCHEMBL24097054 0.72 ATM (0.44) ATMEGFRRECQL
SCHEMBL20999159 0.72 AKT1 (0.36) ATMPOLBEGFRRECQLSMN1; SMN2
SCHEMBL15216219 0.72 ATM (0.35) ATMPOLBEGFRRECQLSMN1; SMN2
SCHEMBL13716855 0.70 F2 (0.36) ATMEGFRRECQL
SCHEMBL20470769 0.70 AKT1 (0.46) ATMSMN1; SMN2
SCHEMBL18868783 0.70 AKT1 (0.46) ATMSMN1; SMN2
SCHEMBL18868913 0.68 CES2 (0.37) ATMPOLBSMN1; SMN2
SCHEMBL16603265 0.67 POLB (0.33) POLBRECQLSMN1; SMN2

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
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 — — EP disclosed
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