SCHEMBL30954002

SCHEMBL30954002

Cc1cc(N2CCC(F)(F)CC2)nc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.66
CRHR2 Q13324 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.56
GFER P55789 1/20 0.56
HRH3 Q9Y5N1 5/20 0.55
HRH4 Q9H3N8 4/20 0.50
TSHR P16473 1/20 0.45
EHMT2 Q96KQ7 1/20 0.44
NUDT1 P36639 1/20 0.43

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
SCHEMBL27455408 1.00 CRHBP (0.66) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL22148686 0.84 GRIN2D (0.50) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL5788921 0.81 CRHBP (0.96) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL24313224 0.80 CRHBP (1.00) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL6600071 0.80 CRHBP (1.00) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL1616232 0.78 HRH4 (0.72) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL29481713 0.77 NOS3 (0.53) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL22122597 0.77 NOS3 (0.53) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL29481712 0.77 NOS3 (0.53) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL27457591 0.77 GBA1 (0.47) CRHBPCRHR2SMN1; SMN2TSHR

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-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed