SCHEMBL28489092

SCHEMBL28489092

NC1CCC(CNc2cc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.62
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
MAP4K4 O95819 2/20 0.43
CDK1 P06493 2/20 0.43
PIM1 P11309 2/20 0.43
CDK2 P24941 2/20 0.43
CSNK1D P48730 2/20 0.43
CLK2 P49760 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
IRAK1 P51617 2/20 0.43
RPS6KA3 P51812 2/20 0.43
CDK5 Q00535 2/20 0.43
PRKCD Q05655 2/20 0.43
PRKAA1 Q13131 2/20 0.43
STK3 Q13188 2/20 0.43
CAMK2B Q13554 2/20 0.43
CAMK2G Q13555 2/20 0.43

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
SCHEMBL3985216 1.00 PRKCQ (0.62) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL3993191 0.93 PRKCQ (0.72) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL3986930 0.93 PRKCQ (0.72) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL13846553 0.92 PRKCQ (0.60) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL13846563 0.92 PRKCQ (0.60) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL13846604 0.91 PRKCQ (0.60) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL13846611 0.91 PRKCQ (0.60) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL3984374 0.90 PRKCQ (0.58) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL13993300 0.88 PRKCQ (0.56) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4
SCHEMBL3993017 0.88 PRKCQ (0.56) PRKCQCYP3A4CYP2D6CYP2C9MAP4K4

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-111587120-A Immunogenic compositions and uses thereof 艾比克斯治疗私人有限公司 2020-08-25 CN disclosed