SCHEMBL31423902

SCHEMBL31423902

FC1CCC1Nc1nc2c(OCC(F)(F)F)c(-c3cn[nH]c3)ncn2n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.34
PSEN1 P49768 4/20 0.31
PSEN2 P49810 4/20 0.31
APH1B Q8WW43 4/20 0.31
NCSTN Q92542 4/20 0.31
APH1A Q96BI3 4/20 0.31
PSENEN Q9NZ42 4/20 0.31
PI4KB Q9UBF8 3/20 0.31
KCNH2 Q12809 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
SCHEMBL31423937 1.00 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423933 1.00 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423948 1.00 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423966 1.00 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31458611 0.90 PIK3CA (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423943 0.89 NTRK1 (0.35) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL30062031 0.81 CDK6 (0.36)
SCHEMBL31423934 0.80 JAK2 (0.36)
SCHEMBL31423905 0.80 MAPK8 (0.40) NTRK1
SCHEMBL31423950 0.78 ATR (0.32)

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-2025054386-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed