SCHEMBL18448252

SCHEMBL18448252

COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 20/20 0.58
DYRK1A Q13627 20/20 0.58
CLK2 P49760 19/20 0.56

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
SCHEMBL18483315 0.93 CLK3 (0.58) CLK3DYRK1ACLK2
SCHEMBL18448268 0.93 CLK3 (0.59) CLK3DYRK1ACLK2
SCHEMBL18446040 0.92 CLK3 (0.56) CLK3DYRK1ACLK2
SCHEMBL18448290 0.90 CLK3 (0.65) CLK3DYRK1ACLK2
SCHEMBL18447946 0.89 CLK3 (0.61) CLK3DYRK1ACLK2
SCHEMBL18451498 0.88 CLK3 (0.45) CLK3DYRK1ACLK2
SCHEMBL18444565 0.88 DYRK1A (0.70) CLK3DYRK1ACLK2
SCHEMBL18448768 0.88 CLK3 (0.72) CLK3DYRK1ACLK2
SCHEMBL20398064 0.87 CLK2 (0.59) CLK3DYRK1ACLK2
SCHEMBL18475545 0.87 CLK2 (0.58) 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