SCHEMBL19873515

SCHEMBL19873515

CC(=O)Nc1cccc(Nc2nc(NCCC3CCCN3C)nc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 1/20 0.44
▸ TERT O14746 2/20 0.43
▸ CSNK2A1 P68400 5/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ SCN9A Q15858 3/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ GBA1 P04062 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ NEK2 P51955 1/20 0.38
▸ BRAF P15056 1/20 0.38

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
SCHEMBL19873503 0.77 CHRNA7 (0.46) CAMK2DTERTACP1GBA1RAD52
SCHEMBL16928500 0.77 MAP3K5 (0.54) CSNK2A1NEK2BRAF
SCHEMBL19873505 0.76 CAMK2D (0.42) CAMK2DTERTACP1RAD52BRAF
SCHEMBL19873454 0.76 CAMK2D (0.44) CAMK2DACP1GBA1BRAF
SCHEMBL19873488 0.75 GBA1 (0.50) ACP1GBA1
SCHEMBL16928527 0.74 ACP1 (0.56) CAMK2DACP1
SCHEMBL19873479 0.74 ACP1 (0.45) CAMK2DACP1RAD52
SCHEMBL16928011 0.74 ACP1 (0.48) CAMK2DACP1RAD52
SCHEMBL19873522 0.74 CHRNB4 (0.47) CAMK2DACP1GBA1
SCHEMBL16928205 0.73 NMT1 (0.51) ACP1

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-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 — — EP disclosed
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