SCHEMBL18448101

SCHEMBL18448101

O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 15/20 0.87
▸ CLK3 P49761 15/20 0.87
▸ DYRK1A Q13627 15/20 0.87
▸ WNT1 P04628 5/20 0.67
▸ TGFBR1 P36897 1/20 0.55

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
SCHEMBL18444193 0.93 CLK2 (1.00) CLK2CLK3DYRK1AWNT1
SCHEMBL18446564 0.93 CLK2 (0.87) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18451980 0.91 CLK2 (0.72) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18441813 0.89 CLK2 (0.80) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18447090 0.88 WNT1 (0.70) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18446985 0.88 CLK2 (0.68) CLK2CLK3DYRK1A
SCHEMBL18447320 0.88 CLK3 (0.78) CLK2CLK3DYRK1AWNT1
SCHEMBL18447205 0.88 CLK3 (0.78) CLK2CLK3DYRK1AWNT1
SCHEMBL18442135 0.87 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18448399 0.87 CLK2 (0.77) CLK2CLK3DYRK1AWNT1

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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