SCHEMBL624904

SCHEMBL624904

CN(C)c1cccc(-c2cn3nc(N(C)CC4CCNCC4)sc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
TP53 P04637 6/20 0.38
FYN P06241 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALOX15 P16050 2/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL624009 0.84 PIM1 (0.44) F2RL3TP53FYNMAPTFGFR1
SCHEMBL624434 0.81 JAK2 (0.48) F2RL3JAK2JAK3PTK2MAPT
SCHEMBL624903 0.81 FYN (0.53) JAK2JAK3PTK2FYNPIM1
SCHEMBL623807 0.77 ALDH1A1 (0.40) F2RL3JAK2TP53FYNMAPT
SCHEMBL15603321 0.72 F2RL3 (0.46) F2RL3TP53FYNMAPTSMN1; SMN2
SCHEMBL625541 0.72 FYN (0.47) F2RL3JAK2JAK3PTK2TP53
SCHEMBL1946917 0.71 FYN (0.52) F2RL3TP53FYNPIM3
SCHEMBL1944344 0.70 FYN (0.67) F2RL3TP53FYNMAPTSMN1; SMN2
SCHEMBL625331 0.69 PIM1 (0.45) F2RL3JAK2JAK3PTK2MAPT
SCHEMBL1946623 0.67 RAB9A (0.47) F2RL3TP53FYNMAPTSMN1; SMN2

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