SCHEMBL31489394

SCHEMBL31489394

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3cccc(-c4cnn(C(C)(C)c5ccccc5)c4)c3F)ccn2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.33
TGFBR1 P36897 1/20 0.31
ITK Q08881 1/20 0.31
BRD4 O60885 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
SCHEMBL31489431 0.94 PDK2 (0.32) PDK2
SCHEMBL31489250 0.84 PDK2 (0.35) PDK2
SCHEMBL31489502 0.82 JAK2 (0.34) PDK2
SCHEMBL31507742 0.81 HSD17B14 (0.34) BRD4
SCHEMBL31489559 0.80 SSTR4 (0.34) BRD4
SCHEMBL31489243 0.80 PIK3CG (0.38) PDK2TGFBR1
SCHEMBL31489497 0.80 CREBBP (0.35) BRD4
SCHEMBL31489310 0.79 TDP2 (0.32) PDK2
SCHEMBL31489529 0.79 CREBBP (0.38) BRD4
SCHEMBL25440010 0.76 CSNK2A2 (0.32)

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed