SCHEMBL10923929

SCHEMBL10923929

NCCn1nc2c3c(c(N)ccc31)Sc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
TOP2A P11388 4/20 0.34
TOP2B Q02880 2/20 0.33
MAPK13 O15264 1/20 0.31
EIF2AK2 P19525 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
PIM1 P11309 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
SCHEMBL10925471 0.85 TOP2A (0.39) TOP2ATOP2B
SCHEMBL8483491 0.84 TOP2A (0.32) TOP2ATOP2B
SCHEMBL8488337 0.84 TOP2A (0.30) TOP2ATOP2B
SCHEMBL10812739 0.83 CYP1A2 (0.40) TOP2ATOP2B
SCHEMBL7488073 0.83 TOP2A (0.50) TOP2ATOP2B
SCHEMBL8486027 0.83 TOP2A (0.32) TOP2A
SCHEMBL10812073 0.82 TOP2A (0.49) NPY5RTOP2ATOP2B
SCHEMBL10810510 0.82 NQO1 (0.36) TOP2ATOP2B
Hydrochloric Acid SCHEMBL10925309 0.82 TOP2A (0.49) TOP2ATOP2B
SCHEMBL8487520 0.82

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
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 US disclosed