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Sugi Predict / Compounds / SCHEMBL5748048

SCHEMBL5748048

SCHEMBL5748048

CNCCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2N[C@H](C)CF)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 17/20 0.38
▸ LIMK2 P53671 16/20 0.38
▸ MAPK14 Q16539 1/20 0.34
▸ TESK1 Q15569 2/20 0.33
▸ TESK2 Q96S53 2/20 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
SCHEMBL4018434 0.89 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4019003 0.89 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4017708 0.89 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
Hydrochloric Acid SCHEMBL4017653 0.78 HRH3 (0.38) LIMK1MAPK14
SCHEMBL15626293 0.78 LIMK1 (0.36) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL16989331 0.78 LIMK1 (0.36) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL13870027 0.78 LIMK1 (0.36) LIMK1LIMK2MAPK14
SCHEMBL4017724 0.78 LIMK1 (0.38) LIMK1LIMK2MAPK14TESK1TESK2
SCHEMBL4016503 0.77 HRH3 (0.39) LIMK1MAPK14
SCHEMBL4017130 0.77 HRH3 (0.39) LIMK1MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663241-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-06-07 — — EP disclosed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 — — WO disclosed