SCHEMBL18447863

SCHEMBL18447863

O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 17/20 0.71
▸ DYRK1A Q13627 17/20 0.71
▸ CLK2 P49760 16/20 0.71
▸ WNT1 P04628 3/20 0.60

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
SCHEMBL18447320 0.94 CLK3 (0.78) CLK3DYRK1ACLK2WNT1
SCHEMBL18448382 0.93 CLK2 (0.82) CLK3DYRK1ACLK2WNT1
SCHEMBL18446389 0.93 CLK2 (0.70) CLK3DYRK1ACLK2WNT1
SCHEMBL18447205 0.92 CLK3 (0.78) CLK3DYRK1ACLK2WNT1
SCHEMBL18447869 0.92 CLK2 (0.68) CLK3DYRK1ACLK2WNT1
SCHEMBL18451661 0.92 CLK2 (0.61) CLK3DYRK1ACLK2WNT1
SCHEMBL18448005 0.92 CLK2 (0.70) CLK3DYRK1ACLK2WNT1
SCHEMBL20452852 0.90 WNT1 (0.71) CLK3DYRK1ACLK2WNT1
SCHEMBL18482546 0.89 CLK2 (0.67) CLK3DYRK1ACLK2WNT1
SCHEMBL18441712 0.89 CLK2 (0.71) CLK3DYRK1ACLK2WNT1

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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