SCHEMBL18448443

SCHEMBL18448443

O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 18/20 0.87
▸ DYRK1A Q13627 18/20 0.87
▸ CLK2 P49760 17/20 0.87
▸ WNT1 P04628 2/20 0.58

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
SCHEMBL18448952 0.93 CLK3 (0.85) CLK3DYRK1ACLK2WNT1
SCHEMBL18447889 0.93 CLK3 (1.00) CLK3DYRK1ACLK2WNT1
SCHEMBL18446101 0.92 CLK2 (0.75) CLK3DYRK1ACLK2WNT1
SCHEMBL18447055 0.91 CLK3 (0.84) CLK3DYRK1ACLK2WNT1
SCHEMBL18451146 0.91 CLK2 (0.72) CLK3DYRK1ACLK2
SCHEMBL18447883 0.90 CLK2 (0.82) CLK3DYRK1ACLK2WNT1
SCHEMBL18447920 0.90 CLK3 (0.84) CLK3DYRK1ACLK2
SCHEMBL18447726 0.90 CLK3 (0.81) CLK3DYRK1ACLK2WNT1
SCHEMBL18447748 0.90 CLK3 (0.78) CLK3DYRK1ACLK2WNT1
SCHEMBL18447834 0.89 CLK3 (0.81) 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 2 patents. 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
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 disclosed
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