SCHEMBL25754050

SCHEMBL25754050

COc1c(N)ccn2ncc(C#N)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.39
KMT2A Q03164 4/20 0.39
F2 P00734 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
CSNK2A1 P68400 1/20 0.36
MEN1 O00255 1/20 0.36
CDK2 P24941 1/20 0.36
XDH P47989 2/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
GLA P06280 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL27199296 0.88 KMT2A (0.39) MAP2K1KMT2AF2KDM4EMEN1
SCHEMBL31205571 0.82 KMT2A (0.36) MAP2K1KMT2AF2KDM4EALDH1A1
SCHEMBL27199642 0.80 F2 (0.44) MAP2K1KMT2AF2XDHDRD2
SCHEMBL25759121 0.80 SMPD3 (0.35) ALDH1A1HTR2A
SCHEMBL25757143 0.78 SMPD3 (0.37) KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL27199529 0.78 SMPD3 (0.34) KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL27199305 0.78 RET (0.31)
Hydrochloric Acid SCHEMBL27199419 0.77 SMPD3 (0.36) ALDH1A1
SCHEMBL25759459 0.77 KMT2A (0.36) MAP2K1KMT2AF2KDM4EALDH1A1
SCHEMBL20887495 0.76 CDK2 (0.44) MAP2K1KMT2AKDM4EALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727935-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
WO-2024254832-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed
WO-2024255886-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed