SCHEMBL625008

SCHEMBL625008

CC1(O)CCC(NCc2nn3c(I)cnc3s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.35
KCNH2 Q12809 2/20 0.33
VNN1 O95497 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
HPGDS O60760 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL627849 0.80 FYN (0.46) PIM1KCNH2
SCHEMBL626162 0.79 CD38 (0.34) PIM1KCNH2VNN1BMPR1BBMPR1A
SCHEMBL625280 0.76 PIK3CA (0.49) PIM1KCNH2BMPR1BBMPR1ATGFBR1
SCHEMBL625009 0.72 HSD11B1 (0.31) PIM1KCNH2
SCHEMBL627018 0.63 FYN (0.47)
SCHEMBL1650183 0.62 DCTPP1 (0.37)
SCHEMBL627199 0.62 FYN (0.46)
SCHEMBL2588468 0.61 OPRM1 (0.61)
SCHEMBL627850 0.59 JAK1 (0.35) PIM1KCNH2
SCHEMBL628002 0.59 PIM1 (0.38) PIM1KCNH2HPGDS

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