SCHEMBL20145916

SCHEMBL20145916

Nc1ncnc(N2CCCCC2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.47
JAK3 P52333 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAP4K4 O95819 2/20 0.44
HTT P42858 5/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 2/20 0.44
AKT2 P31751 1/20 0.44
MAP3K5 Q99683 1/20 0.44
IP6K1 Q92551 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRNP P04156 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL19724966 0.84 HTT (0.48) JAK3KDM4EALDH1A1HTTLMNA
SCHEMBL10077250 0.79 HTT (0.45) JAK3KDM4EALDH1A1HTTLMNA
SCHEMBL20862666 0.78 JAK3 (0.55) JAK3KDM4EMAP4K4HTTTP53
SCHEMBL20862642 0.78 JAK3 (0.55) JAK3KDM4EMAP4K4HTTTP53
SCHEMBL4389982 0.78 ALDH1A1 (0.57) JAK3KDM4EGAAALDH1A1MAP4K4
SCHEMBL20862434 0.77 MAP4K4 (0.48) RPS6KB1KDM4EGAAMAP4K4
SCHEMBL1627372 0.77 HTT (0.43) JAK3KDM4EALDH1A1HTTLMNA
SCHEMBL19801719 0.76 RPS6KB1 (0.42) RPS6KB1KDM4EGAAAKT2
SCHEMBL9159049 0.76 HTT (0.61) JAK3KDM4EGAAALDH1A1HTT
SCHEMBL19719450 0.76 HTT (0.52) JAK3KDM4EALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461824-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2019-04-03 EP disclosed
EP-2858499-B1 PYRIMIDINYL TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2018-05-16 EP disclosed