SCHEMBL17770565

SCHEMBL17770565

C=C(C(=O)N1CCCCC1)n1ncc2cncnc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.35
VNN1 O95497 3/20 0.34
BTD P43251 1/20 0.34
HPGD P15428 2/20 0.33
PTK2 Q05397 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
SCHEMBL17770563 0.90 PRMT3 (0.35) PRMT3VNN1BTDHPGDPTK2
SCHEMBL1567457 0.83 PRMT3 (0.35) PRMT3VNN1BTDHPGD
SCHEMBL1567451 0.80 HPGD (0.34) PRMT3VNN1BTDHPGD
SCHEMBL25429370 0.75 PRMT3 (0.36) PRMT3HPGD
SCHEMBL17770564 0.74 PRMT3 (0.33) PRMT3
SCHEMBL17261540 0.72 HCAR2 (0.33)
SCHEMBL30252102 0.72 HCAR2 (0.33)
SCHEMBL27082168 0.71 KMT2A (0.38) HPGD
SCHEMBL13102518 0.70 CLK4 (0.41) VNN1
SCHEMBL1567452 0.70 FGFR2 (0.40)

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
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 EP disclosed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 WO disclosed