SCHEMBL18448263

SCHEMBL18448263

CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 15/20 0.57
▸ DYRK1A Q13627 14/20 0.57
▸ CLK3 P49761 13/20 0.57
▸ WNT1 P04628 5/20 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
SCHEMBL18447208 0.93 CLK2 (0.57) CLK2DYRK1ACLK3WNT1
SCHEMBL18446378 0.93 CLK2 (0.68) CLK2DYRK1ACLK3WNT1
SCHEMBL18447939 0.92 DYRK1A (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL18448804 0.91 CLK2 (0.61) CLK2DYRK1ACLK3WNT1
SCHEMBL18451587 0.91 CLK2 (0.53) CLK2DYRK1ACLK3WNT1
SCHEMBL18441723 0.91 CLK2 (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL18444641 0.90 CLK2 (0.66) CLK2DYRK1ACLK3WNT1
SCHEMBL18447507 0.90 CLK2 (0.69) CLK2DYRK1ACLK3WNT1
SCHEMBL18447961 0.89 CLK2 (0.60) CLK2DYRK1ACLK3WNT1
SCHEMBL18447081 0.89 DYRK1A (0.66) CLK2DYRK1ACLK3WNT1

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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