SCHEMBL1662714

SCHEMBL1662714

COC(=O)c1nn2c(C(=O)N(C)C)cc(C3CC3)cc2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ SLC6A3 Q01959 4/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ACLY P53396 1/20 0.30
▸ TRPV4 Q9HBA0 1/20 0.30
▸ NPBWR1 P48145 1/20 0.30

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
SCHEMBL1663316 0.85 SPR (0.34) SPRPDE4BSLC6A3CYP1A2POLB
SCHEMBL1662717 0.83 LIPG (0.36) SPRPDE4BPOLBHPGD
SCHEMBL1662681 0.81 SPR (0.33) SPRPDE4BSLC6A3NPBWR1
SCHEMBL1663070 0.80 SPR (0.32) SPRPDE4BSLC6A3
SCHEMBL1663533 0.80 SPR (0.32) SPRPDE4BSLC6A3
SCHEMBL1662501 0.79 HPGD (0.42) SPRCYP1A2POLBCYP2D6CYP2C9
SCHEMBL1665409 0.78 SLC6A3 (0.40) SLC6A3CYP1A2CYP2C9HPGD
SCHEMBL1662940 0.77 HIF1A (0.30) NPBWR1
SCHEMBL1664392 0.75 JAK1 (0.37) SPR
SCHEMBL1663215 0.75 PDE4D (0.33) SPRPDE4BSLC6A3POLB

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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