SCHEMBL31423943

SCHEMBL31423943

FC(F)(F)COc1c(-c2cn[nH]c2)ncn2nc(NC3CC3)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.35
CCNK O75909 3/20 0.33
CDK12 Q9NYV4 3/20 0.33
CCNT1 O60563 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
PI4KB Q9UBF8 3/20 0.33
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL31423933 0.89 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423902 0.89 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423937 0.89 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423948 0.89 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423966 0.89 NTRK1 (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31458611 0.84 PIK3CA (0.34) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL31423905 0.83 MAPK8 (0.40) NTRK1JAK2JAK3MARK3
SCHEMBL23209263 0.81 JAK1 (0.31) JAK2JAK1
SCHEMBL23209264 0.81 CCNE1 (0.42) CCNT1CCNE1CDK2CDK9JAK2
SCHEMBL30062031 0.80 CDK6 (0.36) CCNE1CDK2JAK2JAK1

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