SCHEMBL31661341

SCHEMBL31661341

N#Cc1cnc2c3cc(CN4CCNCC4)ccc3n(CC(F)(F)F)c2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.37
SRC P12931 1/20 0.36
PTPN11 Q06124 1/20 0.35
KDR P35968 1/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
AR P10275 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
PARP1 P09874 2/20 0.34
TNK2 Q07912 2/20 0.34
TNK1 Q13470 2/20 0.34
NSD2 O96028 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
DDR1 Q08345 2/20 0.34
CXCR4 P61073 3/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL31661374 0.89 CHKA (0.41) HTR6SRC
SCHEMBL31661381 0.86 KCNH2 (0.33) KCNH2MCHR1JAK2JAK1PARP1
SCHEMBL31661309 0.85 KCNH2 (0.34) KCNH2MCHR1JAK2JAK1TYK2
SCHEMBL31661357 0.85 RET (0.36) SRCKCNH2MCHR1
SCHEMBL31661366 0.82 NSD2 (0.43) KCNH2NSD2
SCHEMBL30961809 0.81 HTR6 (0.40) HTR6KCNH2MCHR1PARP1CXCR4
SCHEMBL31661387 0.81 MELK (0.35) SRCARMETAP2
SCHEMBL31661361 0.79 CHKA (0.43) HTR6SRCKCNH2METAP2
SCHEMBL31661349 0.79 METAP2 (0.36) SRCARMETAP2
SCHEMBL31661369 0.76 PTGER4 (0.37) METAP2

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