SCHEMBL625392

SCHEMBL625392

COc1ncccc1-c1cn2nc(N3CCOCC3)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 10/20 0.42
LRRK2 Q5S007 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
MTOR P42345 1/20 0.40
CHEK1 O14757 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
F2 P00734 1/20 0.39
AR P10275 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
SCHEMBL625391 0.80 HASPIN (0.52) CHEK1MAPTTHRB
SCHEMBL624827 0.74 MAPT (0.62) F2RL3MAPTTHRB
SCHEMBL626985 0.72 PIK3CA (0.53) MTOR
SCHEMBL625797 0.70 PIK3CA (0.53)
SCHEMBL624035 0.68 SMN1; SMN2 (0.40) MAPTAR
SCHEMBL27796786 0.67 SLC2A1 (0.46) LRRK2ATRATRIP
SCHEMBL19509928 0.67 F2RL3 (0.65) F2RL3
SCHEMBL623944 0.66 SMN1; SMN2 (0.40) MAPTTHRBAR
SCHEMBL3763593 0.65 NOS1 (0.66) LRRK2ATRATRIPMTORHRH4
SCHEMBL3092051 0.63 LRRK2 (0.54) LRRK2ATRATRIPMTORCHEK1

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed