SCHEMBL23217950

SCHEMBL23217950

CC(C)(C)OC(=O)NCCOc1cnc2ccc(Br)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
PDK2 Q15119 1/20 0.43
F2R P25116 1/20 0.41
EGFR P00533 2/20 0.40
RAF1 P04049 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16572283 0.86 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL23217960 0.85 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL25617155 0.82 EGFR (0.41) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL25616913 0.82 DYRK1A (0.37) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL30542273 0.82 EGFR (0.41) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL23217974 0.82 CA12 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL25616900 0.82 AAK1 (0.42) EGFRKDM4EAAK1
SCHEMBL29790558 0.81 CA12 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL1585903 0.80 CA12 (0.51) CA12CA1CA2CA9PDK2
SCHEMBL12227490 0.79 CA12 (0.67) CA12CA1CA2CA9PDK2

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
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed