SCHEMBL25947271

SCHEMBL25947271

CC(C)C(C)c1ccncc1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.39
LATS1 O95835 5/20 0.35
LATS2 Q9NRM7 4/20 0.35
NUDT1 P36639 1/20 0.32
AOC1 P19801 1/20 0.30
AOC3 Q16853 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
SCHEMBL83998 0.83 RPS6KA3 (0.54) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL25777526 0.81 RPS6KA3 (0.45) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL10103687 0.80 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL13186489 0.80 RPS6KA3 (0.41) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL1854863 0.79 RPS6KA3 (0.47) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL22304214 0.79 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL14219235 0.79 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL30824555 0.79 LOXL2 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL459016 0.79 RPS6KA3 (0.47) RPS6KA3LOXL2LATS1LATS2NUDT1
SCHEMBL1858846 0.79 RPS6KA3 (0.44) RPS6KA3LOXL2LATS1LATS2NUDT1

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
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed