SCHEMBL5043676

SCHEMBL5043676

Cc1ccc(-c2ccc3c(C(=O)N4CC5CC4CN5C)n[nH]c3c2)o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ TYK2 P29597 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ PAK1 Q13153 8/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL1176500 1.00 JAK2 (0.37) JAK2JAK1TYK2JAK3USP30
Formic Acid SCHEMBL5563052 0.97 JAK2 (0.36) JAK2JAK1TYK2JAK3USP30
SCHEMBL5044511 0.85 CDK2 (0.48) JAK2JAK1TYK2JAK3USP30
SCHEMBL1176625 0.85 CDK2 (0.48) JAK2JAK1TYK2JAK3USP30
Formic Acid SCHEMBL5556316 0.84 CDK2 (0.46) JAK2JAK1TYK2JAK3USP30
SCHEMBL1176152 0.83 JAK2 (0.38) JAK2JAK1TYK2JAK3USP30
SCHEMBL5039448 0.83 JAK2 (0.38) JAK2JAK1TYK2JAK3USP30
SCHEMBL1176818 0.82 GSK3B (0.48) JAK2JAK1TYK2JAK3USP30
SCHEMBL5048250 0.82 GSK3B (0.48) JAK2JAK1TYK2JAK3USP30
Formic Acid SCHEMBL5563840 0.81 JAK2 (0.36) JAK2JAK1TYK2JAK3USP30

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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