SCHEMBL31458611

SCHEMBL31458611

F[C@@H]1COCC[C@@H]1Nc1nc2c(OCC(F)(F)F)c(-c3cn[nH]c3)ncn2n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
NTRK1 P04629 1/20 0.32
MAPK1 P28482 3/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL31423902 0.90 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423933 0.90 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423948 0.90 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423937 0.90 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423966 0.90 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL25277898 0.86 ATR (0.35) PIK3CAMAPK1
SCHEMBL31423943 0.84 NTRK1 (0.35) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31458686 0.82 JAK2 (0.35) MAPK1
SCHEMBL31458631 0.79 JAK1 (0.33) PIK3CAMAPK1
SCHEMBL31458628 0.79 PRKDC (0.30) PIK3CA

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-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed