SCHEMBL5042846

SCHEMBL5042846

CN1CC2CC1CN2C(=O)c1n[nH]c2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.56
▸ WNT1 P04628 5/20 0.48
▸ GSK3B P49841 7/20 0.48

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
SCHEMBL1175586 1.00 DYRK1A (0.56) DYRK1AWNT1GSK3B
Formic Acid SCHEMBL5557042 0.96 DYRK1A (0.53) DYRK1AWNT1GSK3B
SCHEMBL1176384 0.91 DYRK1A (0.58) DYRK1AWNT1GSK3B
SCHEMBL5046313 0.91 DYRK1A (0.58) DYRK1AWNT1GSK3B
SCHEMBL1176610 0.91 DYRK1A (0.56) DYRK1AWNT1GSK3B
SCHEMBL5042792 0.91 DYRK1A (0.56) DYRK1AWNT1GSK3B
SCHEMBL1176665 0.88 PRKAG1 (0.58) DYRK1AGSK3B
SCHEMBL5046474 0.88 PRKAG1 (0.58) DYRK1AGSK3B
SCHEMBL5048444 0.88 PRKAG1 (0.58) DYRK1AGSK3B
Formic Acid SCHEMBL5563474 0.88 DYRK1A (0.55) DYRK1AWNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
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