SCHEMBL18478931

SCHEMBL18478931

C=C(CC(C)(C)C)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 17/20 0.82
▸ CLK3 P49761 17/20 0.82
▸ DYRK1A Q13627 17/20 0.82
▸ WNT1 P04628 3/20 0.57
▸ 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
SCHEMBL18494677 0.92 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440257 0.90 CLK2 (1.00) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18485356 0.88 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL18478115 0.88 CLK2 (0.82) CLK2CLK3DYRK1AWNT1
SCHEMBL18493959 0.87 CLK2 (0.63) CLK2CLK3DYRK1AWNT1
SCHEMBL18440000 0.85 CLK2 (0.80) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18479165 0.85 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL18494253 0.85 CLK2 (0.65) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18440472 0.84 CLK2 (0.84) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL24844730 0.83 CLK2 (0.71) 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-2017023984-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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