SCHEMBL31661374

SCHEMBL31661374

CN1CCN(Cc2ccc3c(c2)c2ncc(C#N)c(Cl)c2n3CC(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.41
SRC P12931 10/20 0.39
FYN P06241 1/20 0.39
CNR2 P34972 1/20 0.39
HTR6 P50406 3/20 0.39
TNIK Q9UKE5 2/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ABL1 P00519 1/20 0.36
ABL2 P42684 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL31661361 0.90 CHKA (0.43) CHKASRCFYNCNR2HTR6
SCHEMBL31661357 0.90 RET (0.36) CHKASRC
SCHEMBL31661341 0.89 HTR6 (0.37) SRCHTR6
SCHEMBL31661366 0.85 NSD2 (0.43) TP53MAPT
SCHEMBL31661381 0.84 KCNH2 (0.33)
SCHEMBL31661387 0.84 MELK (0.35) SRCPRKCQPRKCD
SCHEMBL31661309 0.83 KCNH2 (0.34)
SCHEMBL30961876 0.81 CNR2 (0.42) CHKACNR2HTR6TP53MAPT
SCHEMBL31661349 0.79 METAP2 (0.36) SRC
SCHEMBL30961763 0.78 CNR2 (0.43) CHKACNR2HTR6TP53MAPT

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-2025151549-A1 PYRIDO[3,2-B]INDOLE-3-CARBONITRILE COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2025-07-17 WO disclosed