SCHEMBL467901

SCHEMBL467901

Nc1nc(N)n(-c2cnc(N3CCC(CN4CCCCC4)CC3)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
MAP3K12 Q12852 1/20 0.35
MERTK Q12866 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
BRAF P15056 2/20 0.33
CHRM4 P08173 1/20 0.32
AXL P30530 1/20 0.32

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
SCHEMBL467797 0.81 L3MBTL3 (0.42)
SCHEMBL27790980 0.77 AXL (0.38) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL27767974 0.76 ADORA2A (0.39) CASP1CASP4CASP5MAP3K12MERTK
SCHEMBL15759139 0.75 CHRM5 (0.46) CASP1CASP4CASP5CHRM5ADRA2C
SCHEMBL27789435 0.74 ADORA2A (0.36) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL10264854 0.73 CASP1 (0.44) CASP1CASP4CASP5CHRM5ADRA2C
SCHEMBL10203176 0.72 CASP1 (0.43) CASP1CASP4CASP5CHRM5ADRA2C
SCHEMBL18869669 0.69 CASP1 (0.40) CASP1CASP4CASP5CHRM5ADRA2C
SCHEMBL27919685 0.68 L3MBTL3 (0.44)
SCHEMBL27901888 0.68 L3MBTL3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622246-B Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-30 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 claimed
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 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-116075303-A Method of selecting patients treated with a combination of an AXL inhibitor and an immune checkpoint modulator 卑尔根生物股份公司 2023-05-05 CN disclosed
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed
CN-101622246-B Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-30 CN disclosed
CN-101622248-B N3-heteroaryl substituted triazoles and n5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2013-04-17 CN disclosed
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US 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
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN disclosed