SCHEMBL18447208

SCHEMBL18447208

COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(NCCN(C)C)c6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 17/20 0.57
▸ CLK3 P49761 16/20 0.57
▸ DYRK1A Q13627 16/20 0.57
▸ WNT1 P04628 3/20 0.54

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
SCHEMBL18448263 0.93 CLK2 (0.57) CLK2CLK3DYRK1AWNT1
SCHEMBL20451179 0.93 CLK2 (0.66) CLK2CLK3DYRK1AWNT1
SCHEMBL18452331 0.90 CLK2 (0.53) CLK2CLK3DYRK1AWNT1
SCHEMBL18447961 0.90 CLK2 (0.60) CLK2CLK3DYRK1AWNT1
SCHEMBL18441478 0.90 CLK2 (0.62) CLK2CLK3DYRK1AWNT1
SCHEMBL18444270 0.90 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL18448471 0.90 CLK2 (0.54) CLK2CLK3DYRK1AWNT1
SCHEMBL18448081 0.89 CLK3 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18447735 0.89 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18482508 0.89 CLK2 (0.61) 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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