SCHEMBL22148449

SCHEMBL22148449

Cc1cc(N)nc(N2CCCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.58
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GBA1 P04062 5/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42

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
SCHEMBL30788620 1.00 HRH4 (0.58) HRH4CRHBPCRHR2SMN1; SMN2GBA1
SCHEMBL10377507 0.86 HRH4 (0.62) HRH4SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1708189 0.86 KMT2A (0.56) CRHBPCRHR2SMN1; SMN2GBA1KMT2A
SCHEMBL11898909 0.84 KMT2A (0.68) HRH4CRHBPCRHR2KMT2AMEN1
SCHEMBL13693076 0.84 KMT2A (0.55) CRHBPCRHR2SMN1; SMN2GBA1KMT2A
SCHEMBL30296930 0.84 HRH4 (0.61) HRH4SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1458548 0.84 HRH4 (0.61) HRH4CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL13033934 0.81 KMT2A (0.56) HRH4CRHBPCRHR2SMN1; SMN2GBA1
SCHEMBL22119420 0.81 NOS3 (0.44) HRH4GBA1KMT2AMEN1KDM4E
SCHEMBL22155692 0.80 KMT2A (0.42) HRH4GBA1KMT2AMEN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510463-A KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-02-06 CN disclosed
WO-2020132648-A1 KIF18A INHIBITORS AMGEN INC. (US) 2020-06-25 WO disclosed