SCHEMBL18448262

SCHEMBL18448262

CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 18/20 0.61
▸ CLK3 P49761 18/20 0.61
▸ DYRK1A Q13627 18/20 0.61
▸ WNT1 P04628 2/20 0.59

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
SCHEMBL18446891 0.93 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18448132 0.92 CLK2 (0.62) CLK2CLK3DYRK1AWNT1
SCHEMBL18441802 0.92 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18452195 0.92 CLK2 (0.57) CLK2CLK3DYRK1AWNT1
SCHEMBL18448074 0.91 CLK2 (0.72) CLK2CLK3DYRK1AWNT1
SCHEMBL18447412 0.91 CLK2 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL20455085 0.91 CLK2 (0.60) CLK2CLK3DYRK1AWNT1
SCHEMBL20452403 0.91 CLK2 (0.72) CLK2CLK3DYRK1AWNT1
SCHEMBL18447990 0.91 CLK2 (0.68) CLK2CLK3DYRK1AWNT1
SCHEMBL18448063 0.91 CLK2 (0.70) CLK2CLK3DYRK1AWNT1

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-2017024013-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
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