SCHEMBL27767958

SCHEMBL27767958

Nc1nc(N)n(-c2ccc(N3CCN(C4CC4)CC3)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.42
HSD11B1 P28845 1/20 0.38

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
SCHEMBL28997652 0.92 HRH3 (0.42) HRH3HSD11B1
SCHEMBL28805725 0.90 L3MBTL3 (0.46) HRH3
SCHEMBL467634 0.90 ACVR1 (0.41) HRH3
SCHEMBL30090827 0.90 ACVR1 (0.41) HRH3
SCHEMBL27919685 0.89 L3MBTL3 (0.44) HRH3
SCHEMBL27901888 0.89 L3MBTL3 (0.44) HRH3
SCHEMBL467882 0.83 HRH4 (0.48) HRH3
SCHEMBL27767974 0.83 ADORA2A (0.39)
SCHEMBL27789437 0.82 CXCR3 (0.36)
SCHEMBL28802365 0.79 CASP1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622248-B N3-heteroaryl substituted triazoles and n5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2013-04-17 CN claimed
CN-101622248-A N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN claimed
CN-101622248-B N3-heteroaryl substituted triazoles and n5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2013-04-17 CN disclosed
CN-101622248-A N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN disclosed