SCHEMBL18448113

SCHEMBL18448113

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 18/20 0.74
▸ CLK3 P49761 18/20 0.74
▸ DYRK1A Q13627 18/20 0.74
▸ WNT1 P04628 2/20 0.57

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
SCHEMBL18448308 0.96 CLK2 (0.79) CLK2CLK3DYRK1AWNT1
SCHEMBL18447274 0.93 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL18447556 0.92 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL18452642 0.91 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL18447240 0.91 CLK2 (0.72) CLK2CLK3DYRK1AWNT1
SCHEMBL18448448 0.91 CLK2 (0.86) CLK2CLK3DYRK1A
SCHEMBL18441636 0.90 CLK2 (0.71) CLK2CLK3DYRK1AWNT1
SCHEMBL20454891 0.90 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18448644 0.90 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL20452260 0.89 CLK2 (0.66) 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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