SCHEMBL28070389

SCHEMBL28070389

CN1CCN(c2ccc(-c3cccc4cnc(N)nc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.52
JAK2 O60674 1/20 0.48
BRD4 O60885 1/20 0.48
FYN P06241 1/20 0.48
MET P08581 2/20 0.47
DHFR P00374 1/20 0.47
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LCK P06239 2/20 0.45
HCK P08631 2/20 0.45
SRC P12931 2/20 0.45
KDR P35968 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
XBP1 P17861 1/20 0.45
KLF5 Q13887 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RPS6KA3 P51812 1/20 0.45
ACVR1 Q04771 1/20 0.45

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
SCHEMBL28120724 0.88 DHFR (0.52) HRH4JAK2BRD4DHFRLCK
SCHEMBL28070394 0.86 TTK (0.52) FYNDHFRKDM4ERAB9AL3MBTL1
SCHEMBL28298603 0.84 MET (0.48) JAK2BRD4FYNMETKDM4E
SCHEMBL265154 0.80 DHFR (0.59) HRH4FYNDHFRKDM4ELCK
SCHEMBL30560046 0.80 DHFR (0.59) HRH4FYNDHFRKDM4ELCK
SCHEMBL28012222 0.79 HRH4 (0.51) HRH4DHFRADRA2C
SCHEMBL29213517 0.78 PTK2 (0.49) HRH4JAK2BRD4FYNDHFR
SCHEMBL30827032 0.78 PTK2 (0.49) HRH4JAK2BRD4FYNDHFR
SCHEMBL1632115 0.76 JAK2 (0.66) JAK2BRD4
SCHEMBL29575830 0.75 JAK2 (0.66) JAK2BRD4

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-105682661-A Certain chemical entities, compositions, and methods 润新生物公司 2016-06-15 CN disclosed