SCHEMBL28536247

SCHEMBL28536247

Cc1[nH]c2ccccc2c1CCNC(=O)c1cc2cc(Nc3nccc(-c4cccnc4)n3)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 3/20 0.68
SYK P43405 11/20 0.51
EIF2AK2 P19525 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 4/20 0.46
EGFR P00533 2/20 0.46
SRC P12931 1/20 0.46
BCR P11274 3/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCA P17252 1/20 0.44

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
SCHEMBL28541022 0.86 NR4A1 (0.73) NR4A1SYKABL1EGFRSRC
SCHEMBL28553673 0.85 NR4A1 (0.67) NR4A1SYKABL1EGFRSRC
SCHEMBL28377494 0.83 NR4A1 (0.83) NR4A1SYKABL1EGFRSRC
SCHEMBL28376597 0.82 NR4A1 (0.71) NR4A1SYKABL1EGFRSRC
SCHEMBL28546571 0.82 NR4A1 (0.66) NR4A1SYKABL1EGFRSRC
SCHEMBL28541659 0.81 NR4A1 (1.00) NR4A1SYKABL1EGFRSRC
SCHEMBL28911290 0.80 NR4A1 (0.78) NR4A1SYKABL1EGFRSRC
SCHEMBL28375483 0.80 NR4A1 (0.85) NR4A1SYKABL1EGFRSRC
SCHEMBL28546576 0.80 NR4A1 (0.58) NR4A1SYK
SCHEMBL28376014 0.79 ABL1 (0.67) NR4A1SYKABL1EGFRSRC

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-109734708-B Pyrimidine indole Nur77 receptor regulator and preparation method and application thereof 厦门大学 2021-04-09 CN disclosed