SCHEMBL18448070

SCHEMBL18448070

CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 17/20 0.80
▸ CLK3 P49761 17/20 0.80
▸ DYRK1A Q13627 17/20 0.80
▸ WNT1 P04628 3/20 0.61
▸ TGFBR1 P36897 1/20 0.57

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
SCHEMBL18447198 0.96 CLK2 (0.74) CLK2CLK3DYRK1AWNT1
SCHEMBL18448798 0.95 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18446627 0.93 CLK2 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448012 0.91 CLK2 (0.80) CLK2CLK3DYRK1AWNT1
SCHEMBL18450163 0.91 CLK2 (0.68) CLK2CLK3DYRK1AWNT1
SCHEMBL18447461 0.91 CLK2 (0.66) CLK2CLK3DYRK1AWNT1
SCHEMBL18453234 0.91 CLK3 (0.65) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20455158 0.90 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18446438 0.90 CLK2 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18441575 0.89 CLK3 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1

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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