SCHEMBL29975352

SCHEMBL29975352

Nc1cnc(N)c(CC2CCC(F)(F)CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
P2RX7 Q99572 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL5492557 0.85 FEN1 (0.31) BRD4
SCHEMBL28852542 0.71 IDH1 (0.39)
SCHEMBL29974960 0.71 IDH1 (0.39)
SCHEMBL23612076 0.71 JAK2 (0.30) JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL28266713 0.70 HRH3 (0.46) PIK3CA
Ammonia Solution, Strong SCHEMBL16914060 0.68 HTT (0.46) JAK2JAK1TYK2JAK3
SCHEMBL20554028 0.68 PRKCZ (0.37)
SCHEMBL23363892 0.66 TEAD2 (0.38) PIK3CABRD4
SCHEMBL23612192 0.66 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL29988592 0.66 JAK2 (0.33) JAK2JAK1TYK2JAK3

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-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed