SCHEMBL31049007

SCHEMBL31049007

COCOc1cc(-c2ncc3c(N4CC5COCC(C4)N5C(=O)OC(C)(C)C)nc(Cl)c(C)c3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KRAS P01116 1/20 0.30

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
SCHEMBL31048893 0.95 JAK1 (0.35) KCNK3KCNK9JAK2JAK1TYK2
SCHEMBL31049201 0.92 RET (0.31) JAK2JAK1TYK2JAK3KRAS
SCHEMBL31049057 0.92
SCHEMBL31048987 0.91
SCHEMBL31048832 0.91 KRAS (0.38) KCNK3KCNK9JAK2JAK1TYK2
SCHEMBL31048956 0.91 JAK2 (0.33) JAK2JAK1TYK2JAK3KRAS
SCHEMBL31048892 0.89 JAK1 (0.33) KCNK3KCNK9JAK2JAK1TYK2
SCHEMBL31048942 0.89 JAK1 (0.35) JAK2JAK1TYK2JAK3KRAS
SCHEMBL31049212 0.89 JAK1 (0.35) KCNK3KCNK9JAK2JAK1TYK2
SCHEMBL31049047 0.88 JAK1 (0.34) JAK2JAK1TYK2JAK3KRAS

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-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed