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SCHEMBL31049099

SCHEMBL31049099

COCOc1cc(-c2ncc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(C#N)c(C)c3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ GPR119 Q8TDV5 3/20 0.34
▸ KRAS P01116 6/20 0.32
▸ RET P07949 2/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ MAPK3 P27361 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL31049201 0.96 RET (0.31) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048771 0.93 JAK1 (0.36) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048964 0.93 RET (0.32) GPR119KRASRET
SCHEMBL31048893 0.92 JAK1 (0.35) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048942 0.92 JAK1 (0.35) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31049255 0.91 JAK1 (0.35) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31049047 0.91 JAK1 (0.34) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048810 0.91 KRAS (0.39) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31049030 0.90 JAK1 (0.34) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31049089 0.90 JAK1 (0.35) JAK1JAK2TYK2JAK3GPR119

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