SCHEMBL623578

SCHEMBL623578

CN(C)C(=O)CN1CCC(CNc2nn3cc(-c4cccc(C(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.48
FYN P06241 3/20 0.44
PIM1 P11309 2/20 0.44
SOS1 Q07889 1/20 0.41
UCHL1 P09936 1/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
GRIN2B Q13224 4/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 1/20 0.39
EPHB4 P54760 1/20 0.39
VCP P55072 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHRM2 P08172 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
SCHEMBL623847 0.88 F2RL3 (0.52) F2RL3FYNPIM1MEN1KMT2A
SCHEMBL625205 0.87 F2RL3 (0.53) F2RL3FYNPIM1EPHB4VCP
SCHEMBL624031 0.87 F2RL3 (0.50) F2RL3FYNPIM1EPHB4VCP
SCHEMBL17004610 0.86 F2RL3 (0.57) F2RL3FYNPIM1EPHB4VCP
SCHEMBL628029 0.83 F2RL3 (0.49) F2RL3PIM1MEN1ALDH1A1KMT2A
SCHEMBL623577 0.83 FYN (0.63) FYNPIM1
SCHEMBL1946067 0.82 F2RL3 (0.52) F2RL3FYNPIM1EPHB4VCP
SCHEMBL623883 0.82 F2RL3 (0.52) F2RL3FYNPIM1MEN1POLB
SCHEMBL1946038 0.79 FYN (0.68) F2RL3FYNPIM1
SCHEMBL2257601 0.76 F2RL3 (0.55) F2RL3MEN1KMT2AVCP

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-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed