SCHEMBL8445064

SCHEMBL8445064

CN1C=C(c2c[nH]c3ncc(Sc4ccc(F)cc4)cc23)CN1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.40
▸ ALK Q9UM73 5/20 0.39
▸ KIT P10721 1/20 0.38
▸ CLK1 P49759 9/20 0.38
▸ DYRK1A Q13627 9/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ MAP3K11 Q16584 2/20 0.38
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35

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
SCHEMBL8442728 0.79 ALK (0.61) TNIKALK
SCHEMBL16374569 0.72 MAPK8 (0.45) CDK2
SCHEMBL3354356 0.69 GCK (0.35) TNIKALKCLK1DYRK1AMAP3K11
SCHEMBL3354820 0.68 ALK (0.60) TNIKALK
SCHEMBL3349746 0.67 CLK1 (0.34) TNIKALKCLK1DYRK1AMAP3K11
SCHEMBL3375624 0.67 JAK2 (0.33) TNIKALKCLK1DYRK1ACLK2
SCHEMBL18098833 0.63 PDPK1 (0.61) TNIKKITDYRK1A
SCHEMBL8478199 0.63 AXL (0.47) TNIKDYRK1ACLK2CLK4CDK2
SCHEMBL13504976 0.61 AXL (0.42) TNIKDYRK1ACLK2CLK4CDK2
SCHEMBL3350898 0.61 MAPK8 (0.52) TNIKKITDYRK1ACLK2CLK4

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
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 — — EP disclosed
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