SCHEMBL29359207

SCHEMBL29359207

NC(=O)N1CCC(C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.47
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
VNN1 O95497 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
UBE2N P61088 1/20 0.35
NAMPT P43490 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22488585 1.00 SPR (0.47) SPRDPP8DPP7RXFP1VNN1
SCHEMBL18312206 0.89 SPR (0.41) SPRDPP8DPP7RXFP1VNN1
SCHEMBL28692543 0.88 RXFP1 (0.49) RXFP1SMN1; SMN2UBE2NNAMPTCRHBP
SCHEMBL27897406 0.85 SPR (0.48) SPRDPP8DPP7RXFP1VNN1
SCHEMBL4218523 0.83 SPR (0.47) SPRDPP8DPP7RXFP1VNN1
SCHEMBL22010646 0.82 SPR (0.34) SPRRXFP1SMN1; SMN2
SCHEMBL4550272 0.82 SPR (0.46) SPRDPP8DPP7RXFP1VNN1
SCHEMBL14655320 0.80 SPR (0.42) SPRDPP8DPP7RXFP1VNN1
SCHEMBL15448194 0.79 CYP2D6 (0.47) SMN1; SMN2GAA
SCHEMBL1104719 0.79 CYP2D6 (0.47) SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761801-A Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same 四川科伦博泰生物医药股份有限公司 2023-09-15 CN disclosed
EP-3962484-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-03-09 EP disclosed
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed