SCHEMBL5048250

SCHEMBL5048250

CN1CC2CC1CN2C(=O)c1n[nH]c2cc(-c3ccoc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ CHEK1 O14757 3/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ LRRK2 Q5S007 3/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 2/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL1176818 1.00 GSK3B (0.48) GSK3BGSK3ACHEK1USP30FLT3
Formic Acid SCHEMBL5563265 0.96 GSK3B (0.46) GSK3BGSK3ACHEK1USP30FLT3
SCHEMBL1176154 0.92 DYRK1A (0.42) GSK3BGSK3AFLT3LRRK2DYRK1A
SCHEMBL5048309 0.92 DYRK1A (0.42) GSK3BGSK3AFLT3LRRK2DYRK1A
Formic Acid SCHEMBL5561679 0.89 DYRK1A (0.40) GSK3BGSK3AFLT3LRRK2DYRK1A
SCHEMBL5044511 0.84 CDK2 (0.48) GSK3BGSK3ACHEK1USP30JAK2
SCHEMBL1176625 0.84 CDK2 (0.48) GSK3BGSK3ACHEK1USP30JAK2
SCHEMBL5044455 0.83 BRD4 (0.39) USP30JAK2JAK1TYK2JAK3
SCHEMBL1176212 0.83 BRD4 (0.39) USP30JAK2JAK1TYK2JAK3
SCHEMBL5044516 0.83 GSK3B (0.48) GSK3BGSK3ACHEK1USP30JAK2

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
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
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 disclosed
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