SCHEMBL28426679

SCHEMBL28426679

C=Cc1c(N)nc(N)n1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.31
LTK P29376 1/20 0.31
TYRO3 Q06418 1/20 0.31
NTRK2 Q16620 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL28470182 0.65 MAOA (0.44) CLK4MAOAMAOBHTR2CHTR2B
SCHEMBL23816112 0.58
SCHEMBL12032548 0.55
SCHEMBL17928569 0.54
SCHEMBL5174097 0.54
SCHEMBL16510448 0.54 LMNA (0.32)
SCHEMBL6226119 0.54
SCHEMBL20160139 0.54
SCHEMBL20865428 0.52 CYP2D6 (0.37) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL24557630 0.52

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
CN-111253437-A P/N/Si-containing multi-element reactive epoxy resin flame retardant and preparation method thereof 福建师范大学泉港石化研究院 2020-06-09 CN disclosed