SCHEMBL18448026

SCHEMBL18448026

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

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CLK3 P49761 20/20 0.86
▸ DYRK1A Q13627 20/20 0.86
▸ CLK2 P49760 19/20 0.86

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
SCHEMBL18448550 0.93 CLK2 (0.83) CLK3DYRK1ACLK2
SCHEMBL18446888 0.92 CLK3 (1.00) CLK3DYRK1ACLK2
SCHEMBL18447514 0.92 CLK2 (0.75) CLK3DYRK1ACLK2
SCHEMBL18447898 0.91 CLK3 (0.82) CLK3DYRK1ACLK2
SCHEMBL18451886 0.91 CLK2 (0.71) CLK3DYRK1ACLK2
SCHEMBL18447871 0.89 CLK2 (0.79) CLK3DYRK1ACLK2
SCHEMBL18447702 0.89 CLK2 (1.00) CLK3DYRK1ACLK2
SCHEMBL18448306 0.89 CLK2 (0.78) CLK3DYRK1ACLK2
SCHEMBL18447618 0.89 CLK2 (0.84) CLK3DYRK1ACLK2
SCHEMBL18442015 0.88 CLK2 (0.68) CLK3DYRK1ACLK2

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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