SCHEMBL26003095

SCHEMBL26003095

CCc1cnc2ccc(C(C)F)cn12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ GRM2 Q14416 1/20 0.35
▸ TGFBR1 P36897 7/20 0.34
▸ EIF2AK4 Q9P2K8 2/20 0.32
▸ CLK1 P49759 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TGFBR2 P37173 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
SCHEMBL22300408 0.75 CYP1A2 (0.50) POLBGRM2TGFBR1KDM4EGLA
SCHEMBL23108642 0.74 MET (0.42) POLBCLK1KDM4E
SCHEMBL21863408 0.73 POLB (0.69) POLBGRM2KDM4EGAA
SCHEMBL23133610 0.72 GRM2 (0.34) GRM2KDM4EGLAGAA
SCHEMBL24712162 0.71 POLB (0.42) POLBGRM2TGFBR1EIF2AK4KDM4E
SCHEMBL17812869 0.71 POLB (0.64) POLBTGFBR1
SCHEMBL20600632 0.70 POLB (0.41) POLBGRM2TGFBR1KDM4EGLA
SCHEMBL21729418 0.70 POLB (0.38) POLBGRM2TGFBR1EIF2AK4CLK1
SCHEMBL2259799 0.68 POLB (0.37) POLBTGFBR1CLK1TGFBR2
SCHEMBL18416824 0.67 POLB (0.55) POLBGRM2TGFBR1CLK1KDM4E

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-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 — — WO disclosed
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