SCHEMBL29862976

SCHEMBL29862976

Cc1ccc(N[C@H]2CCNC2)c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
ATAD2 Q6PL18 4/20 0.43
PRKCZ Q05513 1/20 0.42
KAT2B Q92831 1/20 0.42
RPS6KB1 P23443 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PRKCI P41743 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K1 Q92918 1/20 0.38
SYK P43405 1/20 0.38
BPTF Q12830 2/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL29862367 1.00 BRD4 (0.43) BRD4ATAD2PRKCZKAT2BRPS6KB1
Hydrochloric Acid SCHEMBL23360411 0.99 BRD4 (0.42) BRD4ATAD2PRKCZKAT2BRPS6KB1
Hydrochloric Acid SCHEMBL23360408 0.99 BRD4 (0.42) BRD4ATAD2PRKCZKAT2BRPS6KB1
Hydrochloric Acid SCHEMBL23360570 0.99 BRD4 (0.42) BRD4ATAD2PRKCZKAT2BRPS6KB1
Hydrochloric Acid SCHEMBL18991868 0.91 PRKCZ (0.50) BRD4PRKCZRPS6KB1
Hydrochloric Acid SCHEMBL23360450 0.91 BRD4 (0.41) BRD4ATAD2KAT2BRPS6KB1HTR1A
SCHEMBL29862480 0.90 HTR1A (0.52) BRD4ATAD2PRKCZRPS6KB1HTR1A
Hydrochloric Acid SCHEMBL23360479 0.89 HTR1A (0.51) BRD4ATAD2PRKCZRPS6KB1HTR1A
Hydrochloric Acid SCHEMBL23360476 0.89 HTR1A (0.51) BRD4ATAD2PRKCZRPS6KB1HTR1A
SCHEMBL29862643 0.85 IDO1 (0.49) BRD4PRKCZKAT2BRPS6KB1CHEK2

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-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed