SCHEMBL18448285

SCHEMBL18448285

COc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 17/20 0.67
DYRK1A Q13627 17/20 0.67
CLK2 P49760 16/20 0.67
ITK Q08881 2/20 0.49
CDK7 P50613 1/20 0.48

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
SCHEMBL20454878 0.92 CLK3 (0.69) CLK3DYRK1ACLK2ITK
SCHEMBL18447281 0.89 CLK2 (0.65) CLK3DYRK1ACLK2ITKCDK7
SCHEMBL18451006 0.88 CLK2 (0.55) CLK3DYRK1ACLK2ITK
SCHEMBL18447614 0.85 CLK2 (0.62) CLK3DYRK1ACLK2
SCHEMBL18441732 0.85 CLK2 (0.73) CLK3DYRK1ACLK2CDK7
SCHEMBL18448150 0.85 DYRK1A (0.71) CLK3DYRK1ACLK2
SCHEMBL18442956 0.84 CLK2 (0.57) CLK3DYRK1ACLK2ITK
SCHEMBL18484710 0.84 CLK3 (0.66) CLK3DYRK1ACLK2
SCHEMBL18447632 0.84 CLK3 (0.65) CLK3DYRK1ACLK2
SCHEMBL9904282 0.84 CLK2 (0.62) CLK3DYRK1ACLK2CDK7

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