SCHEMBL626259

SCHEMBL626259

NC1CCC(Nc2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.53
PIM2 Q9P1W9 3/20 0.52
KCNH2 Q12809 1/20 0.45
FLT3 P36888 1/20 0.44
F2RL3 Q96RI0 2/20 0.42
CCNT1 O60563 1/20 0.42

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
SCHEMBL1944061 0.92 PIM1 (0.54) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL1945312 0.91 FYN (0.45) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL625292 0.89 PIM1 (0.53) PIM1PIM2KCNH2FLT3F2RL3
Hydrochloric Acid SCHEMBL625023 0.88 PIM1 (0.45) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL623435 0.88 PIM1 (0.46) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL625501 0.85 PIM1 (0.43) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL623873 0.82 IDH1 (0.44) PIM1KCNH2CCNT1
SCHEMBL625561 0.81 PIM1 (0.49) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL1945253 0.81 PIM1 (0.47) PIM1PIM2KCNH2FLT3F2RL3
SCHEMBL626258 0.80 PIM1 (0.68) PIM1PIM2KCNH2

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