SCHEMBL18447990

SCHEMBL18447990

CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 17/20 0.68
▸ CLK3 P49761 17/20 0.68
▸ DYRK1A Q13627 17/20 0.68
▸ WNT1 P04628 3/20 0.62

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
SCHEMBL18447019 0.93 WNT1 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL18447814 0.92 WNT1 (0.74) CLK2CLK3DYRK1AWNT1
SCHEMBL18452259 0.92 CLK2 (0.58) CLK2CLK3DYRK1AWNT1
SCHEMBL18441538 0.91 WNT1 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL18448074 0.91 CLK2 (0.72) CLK2CLK3DYRK1AWNT1
SCHEMBL20455228 0.91 WNT1 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL18447412 0.91 CLK2 (0.64) CLK2CLK3DYRK1AWNT1
SCHEMBL18448262 0.91 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL20452815 0.91 CLK2 (0.72) 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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