SCHEMBL18447236

SCHEMBL18447236

CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 5/20 0.73
▸ TGFBR1 P36897 2/20 0.62
▸ CLK2 P49760 15/20 0.59
▸ DYRK1A Q13627 15/20 0.59
▸ CLK3 P49761 14/20 0.59

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
SCHEMBL18447146 0.94 WNT1 (0.71) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL18450904 0.92 WNT1 (0.63) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL18441350 0.91 WNT1 (0.77) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL20455004 0.91 WNT1 (0.73) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL20452574 0.90 WNT1 (0.73) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL18448781 0.90 WNT1 (0.71) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL18442345 0.90 CLK2 (0.65) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL18447750 0.89 WNT1 (0.60) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL18448409 0.89 CLK2 (0.62) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL15306964 0.89 WNT1 (0.79) WNT1TGFBR1CLK2DYRK1ACLK3

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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