SCHEMBL1913604

SCHEMBL1913604

Cc1nc2c(-c3cnc(N)cn3)nc(Cl)nc2n1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CDK5 Q00535 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK4 Q9NR20 1/20 0.40

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
SCHEMBL1913587 0.78 CDK2 (0.48) MTORPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL6898700 0.75 MTOR (0.62) MTORPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1913382 0.70 PIK3CA (0.60) MTORPIK3CAPIK3CBPIK3CGCDK5
SCHEMBL1803512 0.68 XDH (0.50) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL20740567 0.65 CDK5 (0.42) MTORPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1578336 0.63 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL23547316 0.62 DAPK1 (0.38) MTORPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL27405153 0.62 ADORA1 (0.41) MTORPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL19366633 0.59 ALDH1A1 (0.41) MTORPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15742024 0.58 EGFR (0.45) CDK5DYRK1ACDK5R1CSNK1ECLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 — — WO disclosed
WO-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 — — WO disclosed
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