SCHEMBL4387064

SCHEMBL4387064

COc1cccc(F)c1-c1ccc2c(n1)N=C(N)N(C)C2N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 16/20 0.40
RPS6KA2 Q15349 1/20 0.39
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL3727498 0.89 F2RL3 (0.33) F2RL3
SCHEMBL4384578 0.88 ALOX5AP (0.35) MAP4K1RPS6KA2
SCHEMBL4377822 0.88 MAP4K1 (0.38) MAP4K1RPS6KA2
SCHEMBL4378502 0.86 MCHR1 (0.36) MAP4K1
SCHEMBL4378503 0.86 PTPN1 (0.48) HSP90AA1HSP90AB1
SCHEMBL4386872 0.85 MCHR1 (0.36) MAP4K1
SCHEMBL3734371 0.84 PDE2A (0.32) MAP4K1
SCHEMBL3729445 0.82 HSP90AA1 (0.41) MAP4K1HSP90AA1HSP90AB1
SCHEMBL4386814 0.82 PTPN1 (0.34)
SCHEMBL3732360 0.82 PTPN1 (0.45)

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-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed