SCHEMBL18448306

SCHEMBL18448306

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

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 15/20 0.78
▸ CLK3 P49761 15/20 0.78
▸ DYRK1A Q13627 15/20 0.78
▸ WNT1 P04628 5/20 0.68
▸ TGFBR1 P36897 1/20 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
SCHEMBL18446595 0.93 CLK2 (0.70) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18451137 0.91 CLK2 (0.64) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448012 0.90 CLK2 (0.80) CLK2CLK3DYRK1AWNT1
SCHEMBL20454725 0.90 CLK2 (0.70) CLK2CLK3DYRK1AWNT1
SCHEMBL18442144 0.89 WNT1 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20452562 0.89 CLK2 (0.74) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448798 0.89 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448363 0.89 WNT1 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448026 0.89 CLK3 (0.86) CLK2CLK3DYRK1A
SCHEMBL18442002 0.88 WNT1 (0.61) 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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