SCHEMBL18448409

SCHEMBL18448409

CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.62
▸ CLK3 P49761 16/20 0.62
▸ DYRK1A Q13627 16/20 0.62
▸ WNT1 P04628 4/20 0.61
▸ TGFBR1 P36897 1/20 0.53

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
SCHEMBL18447174 0.94 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448781 0.93 WNT1 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18452744 0.92 CLK2 (0.53) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18441611 0.90 WNT1 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18446965 0.90 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18444810 0.90 CLK2 (0.62) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18442714 0.89 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18447236 0.89 WNT1 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18447845 0.88 DYRK1A (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL18482653 0.88 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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