SCHEMBL20765634

SCHEMBL20765634

O=C(c1ccc2nc(-c3cccnn3)[nH]c2c1)N1CCN(Cc2ccccc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FGFR1 P11362 4/20 0.46
KDR P35968 4/20 0.46
FGFR2 P21802 3/20 0.46
FGFR3 P22607 3/20 0.46
HTT P42858 1/20 0.45
MGLL Q99685 1/20 0.43
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDGFRB P09619 1/20 0.42
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.41
LANCL2 Q9NS86 1/20 0.41
ATM Q13315 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL20765497 0.86 MGLL (0.58) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765616 0.83 KDM4E (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765538 0.80 FGFR1 (0.57) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765776 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20782579 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765467 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765580 0.78 KDM4E (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765631 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765671 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20765756 0.74 MAPK14 (0.72) ALDH1A1KDM4ELMNAMEN1KMT2A

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
WO-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO claimed