SCHEMBL31423905

SCHEMBL31423905

CC(C)Nc1nc2c(OCC(F)(F)F)c(-c3cn[nH]c3)ncn2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
MARK3 P27448 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
KDM5B Q9UGL1 1/20 0.30
PRKD1 Q15139 1/20 0.30
PRKD2 Q9BZL6 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
SCHEMBL31423943 0.83 NTRK1 (0.35) NTRK1JAK2JAK3MARK3
SCHEMBL31423920 0.82 ATR (0.33) MAPK8MEN1CYP1A2CYP2C19KMT2A
SCHEMBL31423998 0.81 JAK2 (0.38) MEN1CYP1A2CYP2C19KMT2AJAK2
SCHEMBL31423902 0.80 NTRK1 (0.34) NTRK1
SCHEMBL31423948 0.80 NTRK1 (0.34) NTRK1
SCHEMBL31423937 0.80 NTRK1 (0.34) NTRK1
SCHEMBL31423966 0.80 NTRK1 (0.34) NTRK1
SCHEMBL31423965 0.80 MAPK8 (0.33) MAPK8JAK2JAK3PTK2ADORA2A
SCHEMBL31423962 0.80 MAPK8 (0.33) MAPK8JAK2JAK3PTK2KDM5B
SCHEMBL31423883 0.80 MAPK8 (0.33) MAPK8JAK2JAK3PTK2KDM5B

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